Geometry & MOs

Info

ID:	253357
PubChem CID:	103117941
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	53.14
Dipole, Da:	4.9
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CCC(=S)N)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations