Geometry & MOs

Info

ID:

99816

PubChem CID:

50055177

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-166.71

Dipole, Da:

5.59

IP(EA), eV:

 -8.72(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations