Geometry & MOs

Info

ID:	17197
PubChem CID:	487570
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	3.42
Dipole, Da:	8.89
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-cyanobenzoyl)-N-(4-propan-2-yloxyphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)C#N)S

DOS

IR

Vibrations