Geometry & MOs

Info

ID:	134927
PubChem CID:	51783550
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	456.217971
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	5.56
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(=O)N(C)[C@@H](C1=C(C=CC2=CC=CC=C21)OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations