Geometry & MOs

Info

ID:	133986
PubChem CID:	51622322
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	352.079012
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	4.64
IP(EA), eV:	-8.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCN([C@@H](C2)CCO)CC3=CC(=C(C=C3)OC)C)OC

DOS

IR

Vibrations