Geometry & MOs

Info

ID:

120592

PubChem CID:

50736241

Reduced:

N6O6C33H38 (1)

Stoich.:

A6B6C33D38 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-197.88

Dipole, Da:

8.41

IP(EA), eV:

 -8.81(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[3-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations