Geometry & MOs

Info

ID:	60626
PubChem CID:	26697301
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	2.4
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations