Geometry & MOs

Info

ID:	22326
PubChem CID:	596701
Reduced:	SO2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	13.97
Dipole, Da:	4.44
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanoacetyl)amino]-N'-(2-methoxyphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=C(NNC(=O)CC#N)S

DOS

IR

Vibrations