Geometry & MOs

Info

ID:	217081
PubChem CID:	85087215
Reduced:	SN2O4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	330.067428
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	3.84
IP(EA), eV:	-9.31(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfinyl-N-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3=CC=C(S3)C(=O)NO

DOS

IR

Vibrations