Geometry & MOs

Info

ID:

184414

PubChem CID:

77159190

Reduced:

BrFCl2N4O4C32H32 (1)

Stoich.:

ABC2D4E4F32G32 (1)

Weight, g/mol:

696.04295

ΔHf, kcal/mol:

-160.98

Dipole, Da:

4.57

IP(EA), eV:

 -9.18(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[4-bromo-2-[6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)OC2=C(C(=C(C=C2)Br)F)C3C4(C(CC(=O)N3)C5CC(=CC=C5)Cl)C6=C(C=C(C=C6)Cl)NC4=O

DOS

IR

Vibrations