Geometry & MOs

Info

ID:	30176
PubChem CID:	840447
Reduced:	ClOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	320.148455
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	2.88
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoylimino)-4-(dihydroxyamino)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C#N)NC(=O)CCl)C

DOS

IR

Vibrations