Geometry & MOs

Info

ID:	62879
PubChem CID:	26737410
Reduced:	NO2C9H9 (3)
Stoich.:	AB2C9D9 (3)
Weight, g/mol:	463.102434
ΔH_f, kcal/mol:	-158.15
Dipole, Da:	8.19
IP(EA), eV:	-8.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC(=O)N)OC

DOS

IR

Vibrations