Geometry & MOs

Info

ID:	302663
PubChem CID:	124391785
Reduced:	ClON2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	499.180874
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	7.57
IP(EA), eV:	-9.0(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-1-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)Cl)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations