Geometry & MOs

Info

ID:	412792
PubChem CID:	135085721
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	6.44
IP(EA), eV:	-9.12(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-2-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N=S(=O)(C)C

DOS

IR

Vibrations