Geometry & MOs

Info

ID:	253365
PubChem CID:	103117978
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	240.104482
ΔH_f, kcal/mol:	15.78
Dipole, Da:	4.91
IP(EA), eV:	-8.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-sulfanylidenebutan-2-yl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(=S)N)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations