Geometry & MOs

Info

ID:

97589

PubChem CID:

50032802

Reduced:

F2O5N6C40H40 (1)

Stoich.:

A2B5C6D40E40 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-222.58

Dipole, Da:

9.91

IP(EA), eV:

 -8.77(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations