Geometry & MOs

Info

ID:	155761
PubChem CID:	56367422
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	416.082223
ΔH_f, kcal/mol:	-134.97
Dipole, Da:	4.61
IP(EA), eV:	-9.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations