Geometry & MOs

Info

ID:	291486
PubChem CID:	112773277
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	435.118753
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	1.73
IP(EA), eV:	-8.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)NC(C)C3=CC=CC=N3

DOS

IR

Vibrations