Geometry & MOs

Info

ID:	228192
PubChem CID:	87563637
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	329.083413
ΔH_f, kcal/mol:	25.1
Dipole, Da:	5.95
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1COCCN1CCC2=NC=C3C(=N2)N=C(S3)N

DOS

IR

Vibrations