Geometry & MOs

Info

ID:	141662
PubChem CID:	52910584
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	496.26857
ΔH_f, kcal/mol:	-194.08
Dipole, Da:	5.06
IP(EA), eV:	-8.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)N2CCCCCC2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations