Geometry & MOs

Info

ID:

97997

PubChem CID:

50037852

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-304.15

Dipole, Da:

9.21

IP(EA), eV:

 -8.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-fluoro-5-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F

DOS

IR

Vibrations