Geometry & MOs

Info

ID:	52898
PubChem CID:	14709165
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	276.089878
ΔH_f, kcal/mol:	-188.42
Dipole, Da:	6.5
IP(EA), eV:	-10.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzoyl-N-(1-cyanoethenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations