Geometry & MOs

Info

ID:	70777
PubChem CID:	48413854
Reduced:	OSN6C12H18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	348.082702
ΔH_f, kcal/mol:	16.87
Dipole, Da:	1.97
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations