Geometry & MOs

Info

ID:	318172
PubChem CID:	126649378
Reduced:	ON2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	500.167827
ΔH_f, kcal/mol:	27.24
Dipole, Da:	13.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803467
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[2-[4-(1,1-difluoro-2-methoxyethyl)phenyl]acetyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC[N+](C)(C)C.C1=CNC1=O

DOS

IR

Vibrations