Geometry & MOs

Info

ID:	34191
PubChem CID:	7890241
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	355.043833
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	4.07
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfanyl)phenyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations