Geometry & MOs

Info

ID:

112247

PubChem CID:

50399963

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-247.77

Dipole, Da:

1.07

IP(EA), eV:

 -8.74(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F)Cl

DOS

IR

Vibrations