Geometry & MOs

Info

ID:	175201
PubChem CID:	75866374
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	6.01
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations