Geometry & MOs

Info

ID:

99715

PubChem CID:

50054674

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-287.99

Dipole, Da:

10.25

IP(EA), eV:

 -9.01(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations