Geometry & MOs

Info

ID:

97541

PubChem CID:

50032465

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

772.351525

ΔHf, kcal/mol:

-233.95

Dipole, Da:

11.4

IP(EA), eV:

 -9.09(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations