Geometry & MOs

Info

ID:	141237
PubChem CID:	52845037
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	471.138341
ΔH_f, kcal/mol:	-126.75
Dipole, Da:	4.62
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCC(=O)NC2=C(C=CC(=C2)C(=O)N(C)C(C)C)Cl)C

DOS

IR

Vibrations