Geometry & MOs

Info

ID:

112870

PubChem CID:

50423424

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-231.21

Dipole, Da:

6.99

IP(EA), eV:

 -8.74(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methoxy-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)C

DOS

IR

Vibrations