Geometry & MOs

Info

ID:

112450

PubChem CID:

50407639

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-202.09

Dipole, Da:

6.63

IP(EA), eV:

 -8.65(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations