Geometry & MOs

Info

ID:

108460

PubChem CID:

50246905

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

738.274417

ΔHf, kcal/mol:

-280.66

Dipole, Da:

7.78

IP(EA), eV:

 -9.11(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations