Geometry & MOs

Info

ID:

110306

PubChem CID:

50319634

Reduced:

FO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-235.62

Dipole, Da:

3.26

IP(EA), eV:

 -8.79(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-carbamoyl-5-chloroanilino)-3-oxopropyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)N(C)C

DOS

IR

Vibrations