Geometry & MOs

Info

ID:

112475

PubChem CID:

50408807

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-182.62

Dipole, Da:

6.49

IP(EA), eV:

 -8.53(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)C

DOS

IR

Vibrations