Geometry & MOs

Info

ID:

112291

PubChem CID:

50400435

Reduced:

FN5O6C35H42 (1)

Stoich.:

AB5C6D35E42 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-251.71

Dipole, Da:

5.01

IP(EA), eV:

 -8.04(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)OC)OC)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations