Geometry & MOs

Info

ID:	70776
PubChem CID:	48413853
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	294.12628
ΔH_f, kcal/mol:	49.07
Dipole, Da:	5.76
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations