Geometry & MOs

Info

ID:

95033

PubChem CID:

50005854

Reduced:

FN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-239.09

Dipole, Da:

2.38

IP(EA), eV:

 -9.09(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC

DOS

IR

Vibrations