Geometry & MOs

Info

ID:	131968
PubChem CID:	51284528
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	3.35
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations