Geometry & MOs

Info

ID:	137863
PubChem CID:	52274281
Reduced:	FSO2N3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	350.107813
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992058
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(difluoromethoxy)-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)NCCOC2=CC(=CC=C2)F)C3=CC=CS3

DOS

IR

Vibrations