Geometry & MOs

Info

ID:	342114
PubChem CID:	127264827
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	4.96
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-cyano-3-[3-(dimethylcarbamoylsulfanyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)SC(=O)N(C)C

DOS

IR

Vibrations