Geometry & MOs

Info

ID:

115741

PubChem CID:

50532553

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

604.196774

ΔHf, kcal/mol:

-214.8

Dipole, Da:

4.33

IP(EA), eV:

 -9.08(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-carbamoyl-4-chloroanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4F)Cl

DOS

IR

Vibrations