Geometry & MOs

Info

ID:	445557
PubChem CID:	135268050
Reduced:	N5O7C37H47 (1)
Stoich.:	A5B7C37D47 (1)
Weight, g/mol:	584.225249
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(11-naphthalen-1-yl-10H-cyclohepta[b]naphthalen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)CC(C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(CCC3=CC=CC=C3)NC(=O)C4=NOC(=C4)CN5CCOCC5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)CC(C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(CCC3=CC=CC=C3)NC(=O)C4=NOC(=C4)CN5CCOCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):