Geometry & MOs

Info

ID:

95997

PubChem CID:

50018277

Reduced:

F2O5N6C44H48 (1)

Stoich.:

A2B5C6D44E48 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-252.16

Dipole, Da:

11.91

IP(EA), eV:

 -8.48(-0.56)

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-[2-methyl-4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)F

DOS

IR

Vibrations