Geometry & MOs

Info

ID:

97681

PubChem CID:

50033828

Reduced:

F3O5N6C38H45 (1)

Stoich.:

A3B5C6D38E45 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-333.09

Dipole, Da:

10.66

IP(EA), eV:

 -8.87(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)F

DOS

IR

Vibrations