Geometry & MOs

Info

ID:

118090

PubChem CID:

50628388

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

692.228074

ΔHf, kcal/mol:

-221.58

Dipole, Da:

7.29

IP(EA), eV:

 -9.0(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)F

DOS

IR

Vibrations