Geometry & MOs

Info

ID:	37187
PubChem CID:	8018069
Reduced:	Cl2O3N5H15C16 (1)
Stoich.:	A2B3C5D15E16 (1)
Weight, g/mol:	366.091725
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	2.3
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)Cl

DOS

IR

Vibrations