Geometry & MOs

Info

ID:	37705
PubChem CID:	8023454
Reduced:	ClO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	318.03421
ΔH_f, kcal/mol:	45.13
Dipole, Da:	3.81
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-thiophen-3-ylacetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)N2C=NC=N2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations