Geometry & MOs

Info

ID:	240793
PubChem CID:	93617598
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	7.52
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@H](C)C2=CC(=CC=C2)NS(=O)(=O)C)C

DOS

IR

Vibrations