Geometry & MOs

Info

ID:

110522

PubChem CID:

50328617

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-161.05

Dipole, Da:

6.05

IP(EA), eV:

 -8.94(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NCC(C)C)C(=O)N(C)C

DOS

IR

Vibrations