Geometry & MOs

Info

ID:	69164
PubChem CID:	46525711
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	495.230411
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	6.27
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3C(=O)C(NC3=O)(C)C4=CC=C(C=C4)C

DOS

IR

Vibrations