Geometry & MOs

Info

ID:

112245

PubChem CID:

50399927

Reduced:

FO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

734.340353

ΔHf, kcal/mol:

-252.62

Dipole, Da:

8.34

IP(EA), eV:

 -8.72(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)NC4CCCC4

DOS

IR

Vibrations