Geometry & MOs

Info

ID:	235229
PubChem CID:	92304251
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	5.62
IP(EA), eV:	-8.2(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)N3CCCCC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations