Geometry & MOs

Info

ID:

99612

PubChem CID:

50052262

Reduced:

F3O5N6C37H43 (1)

Stoich.:

A3B5C6D37E43 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-324.73

Dipole, Da:

8.9

IP(EA), eV:

 -8.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-chloroanilino)-3-oxopropyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)F

DOS

IR

Vibrations