Geometry & MOs

Info

ID:

114605

PubChem CID:

50489603

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-230.03

Dipole, Da:

4.76

IP(EA), eV:

 -9.0(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations