Geometry & MOs

Info

ID:

91189

PubChem CID:

49973982

Reduced:

FO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

730.421797

ΔHf, kcal/mol:

-275.85

Dipole, Da:

8.98

IP(EA), eV:

 -8.72(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)C)F

DOS

IR

Vibrations