Geometry & MOs

Info

ID:

114954

PubChem CID:

50503286

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-233.21

Dipole, Da:

7.02

IP(EA), eV:

 -8.91(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations