Geometry & MOs

Info

ID:

95985

PubChem CID:

50018102

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-289.75

Dipole, Da:

11.78

IP(EA), eV:

 -8.92(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F

DOS

IR

Vibrations