Geometry & MOs

Info

ID:	21554
PubChem CID:	588901
Reduced:	ClSN4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	270.070595
ΔH_f, kcal/mol:	34.39
Dipole, Da:	1.9
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(C)N=C(N)N=C(NC1=CC=C(C=C1)Cl)S

DOS

IR

Vibrations