Geometry & MOs

Info

ID:	167023
PubChem CID:	74768135
Reduced:	ClO2S2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	436.102768
ΔH_f, kcal/mol:	20.6
Dipole, Da:	4.92
IP(EA), eV:	-8.46(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations