Geometry & MOs

Info

ID:

110807

PubChem CID:

50340563

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-220.12

Dipole, Da:

4.86

IP(EA), eV:

 -8.82(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NCC(C)C)C(=O)N5CCCCC5

DOS

IR

Vibrations