Geometry & MOs

Info

ID:	308304
PubChem CID:	125326058
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	392.026538
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	6.73
IP(EA), eV:	-8.77(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-4-benzyl-5-sulfanylidene-3H-1,2,4-triazol-3-yl]methyl]-2,4-dichlorobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)C)/C(=C\2/[C@@H](N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)OC)/O

DOS

IR

Vibrations