Geometry & MOs

Info

ID:	148702
PubChem CID:	53788371
Reduced:	SO3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	261.103275
ΔH_f, kcal/mol:	-77.97
Dipole, Da:	4.0
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-cyano-N'-(2-methylpropyl)prop-2-enimidamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)O)C2=CC=C(C=C2)O

DOS

IR

Vibrations