Geometry & MOs

Info

ID:	223612
PubChem CID:	85335307
Reduced:	Cl2N3O3C22H31 (1)
Stoich.:	A2B3C3D22E31 (1)
Weight, g/mol:	456.204907
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	1.94
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoyl]amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CCC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations