Geometry & MOs

Info

ID:

113207

PubChem CID:

50434715

Reduced:

F2N6O6C35H40 (1)

Stoich.:

A2B6C6D35E40 (1)

Weight, g/mol:

724.258767

ΔHf, kcal/mol:

-280.79

Dipole, Da:

8.0

IP(EA), eV:

 -8.97(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations