Geometry & MOs

Info

ID:

106862

PubChem CID:

50179555

Reduced:

O5N6C42H52 (1)

Stoich.:

A5B6C42D52 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-192.57

Dipole, Da:

5.19

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations