Geometry & MOs

Info

ID:	31779
PubChem CID:	3718069
Reduced:	Cl2N2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	476.245727
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	8.53
IP(EA), eV:	-8.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations