Geometry & MOs

Info

ID:

120594

PubChem CID:

50736243

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-209.74

Dipole, Da:

11.12

IP(EA), eV:

 -8.45(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations