Geometry & MOs

Info

ID:

103523

PubChem CID:

50071675

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-182.05

Dipole, Da:

10.45

IP(EA), eV:

 -8.43(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations