Geometry & MOs

Info

ID:	61992
PubChem CID:	26716730
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-187.79
Dipole, Da:	7.37
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

DOS

IR

Vibrations