Geometry & MOs

Info

ID:

113501

PubChem CID:

50448490

Reduced:

F4O5N6H34C37 (1)

Stoich.:

A4B5C6D34E37 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-313.29

Dipole, Da:

8.29

IP(EA), eV:

 -8.94(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations