Geometry & MOs

Info

ID:	302360
PubChem CID:	124361418
Reduced:	N3O3H27C31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	489.205242
ΔH_f, kcal/mol:	35.37
Dipole, Da:	5.92
IP(EA), eV:	-8.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-10-(3-methylanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

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

CC1=CC(=CC=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N(C)[C@@H](C)[C@H](C6=CC=CC=C6)O

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

CC1=CC(=CC=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N(C)[C@@H](C)[C@H](C6=CC=CC=C6)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):