Geometry & MOs

Info

ID:	133230
PubChem CID:	51495977
Reduced:	ON4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	360.08116
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	3.34
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC[C@@H]1CCCN(C1)C(C)C)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations