Geometry & MOs

Info

ID:	163523
PubChem CID:	58023917
Reduced:	ClO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	626.192766
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042840
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-[3-[4-(4-fluorophenyl)-2-(2,4,6-trifluorobenzoyl)cyclopent-3-en-1-yl]-2-methoxyphenoxy]-4,7-dioxooctanoate

Drug info:

PubChemData

Smile

C1CN(CC1O)CC2=[N+]3C=CC=CC3=C(N2)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations