Geometry & MOs

Info

ID:	38731
PubChem CID:	8137834
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	314.090055
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	7.34
IP(EA), eV:	-9.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3,4-difluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations