Geometry & MOs

Info

ID:	253376
PubChem CID:	103118018
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	240.104482
ΔH_f, kcal/mol:	16.68
Dipole, Da:	9.43
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=S)N)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations