Geometry & MOs

Info

ID:	188704
PubChem CID:	77757653
Reduced:	Cl2N3O8C36H41 (1)
Stoich.:	A2B3C8D36E41 (1)
Weight, g/mol:	302.107357
ΔH_f, kcal/mol:	-325.37
Dipole, Da:	2.5
IP(EA), eV:	-9.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1-chloro-4-phenylcyclohexa-2,5-dien-1-yl)but-2-enoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C1=C(C(=CC(=C1)Cl)C(=O)O)Cl)C(=O)CCCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations