Geometry & MOs

Info

ID:

113686

PubChem CID:

50455117

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

718.327897

ΔHf, kcal/mol:

-275.7

Dipole, Da:

7.08

IP(EA), eV:

 -9.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations