Geometry & MOs

Info

ID:	167949
PubChem CID:	74904070
Reduced:	ClSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	2.98
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-3-[3-(dipropylcarbamoyl)anilino]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)C=CC2=CC=C(O2)CN(C)S(=O)(=O)C

DOS

IR

Vibrations