Geometry & MOs

Info

ID:

99535

PubChem CID:

50051039

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-276.7

Dipole, Da:

5.58

IP(EA), eV:

 -9.13(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)C

DOS

IR

Vibrations