Geometry & MOs

Info

ID:

95108

PubChem CID:

50006438

Reduced:

F2O5N6C40H50 (1)

Stoich.:

A2B5C6D40E50 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-294.12

Dipole, Da:

8.54

IP(EA), eV:

 -8.79(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations