Geometry & MOs

Info

ID:	158458
PubChem CID:	56463700
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	478.251481
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	6.12
IP(EA), eV:	-8.33(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3

DOS

IR

Vibrations