Geometry & MOs

Info

ID:

106694

PubChem CID:

50172734

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-222.81

Dipole, Da:

9.79

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations