Geometry & MOs

Info

ID:	302329
PubChem CID:	124361262
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	4.41
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H](C1)NC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)CC5=CC=CO5

DOS

IR

Vibrations