Geometry & MOs

Info

ID:	141091
PubChem CID:	52816872
Reduced:	FO2S2N3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	463.087178
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	4.41
IP(EA), eV:	-8.7(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-5-nitro-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)CC2=CC=C(C=C2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations