Geometry & MOs

Info

ID:	62069
PubChem CID:	26717418
Reduced:	SN2F3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	364.074533
ΔH_f, kcal/mol:	-291.67
Dipole, Da:	9.1
IP(EA), eV:	-9.05(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations