Geometry & MOs

Info

ID:

92314

PubChem CID:

49985103

Reduced:

FO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-267.29

Dipole, Da:

6.31

IP(EA), eV:

 -8.56(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations