Geometry & MOs

Info

ID:

113562

PubChem CID:

50451086

Reduced:

N5O5C32H37 (1)

Stoich.:

A5B5C32D37 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-154.61

Dipole, Da:

1.87

IP(EA), eV:

 -8.34(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations