Geometry & MOs

Info

ID:	304791
PubChem CID:	124766177
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	5.81
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,6R,7R)-2-N-cyclopentyl-6-N-cyclopropyl-3-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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)N2[C@@H]([C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)NC5CC5)C(=O)NC6CCCC6

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)N2[C@@H]([C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)NC5CC5)C(=O)NC6CCCC6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):