Geometry & MOs

Info

ID:

113824

PubChem CID:

50459776

Reduced:

N5O5C33H39 (1)

Stoich.:

A5B5C33D39 (1)

Weight, g/mol:

738.274417

ΔHf, kcal/mol:

-168.92

Dipole, Da:

2.31

IP(EA), eV:

 -8.26(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations