Geometry & MOs

Info

ID:

109187

PubChem CID:

50275925

Reduced:

F4N5O5C32H33 (1)

Stoich.:

A4B5C5D32E33 (1)

Weight, g/mol:

718.329039

ΔHf, kcal/mol:

-365.4

Dipole, Da:

4.57

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations