Geometry & MOs

Info

ID:

117097

PubChem CID:

50588953

Reduced:

ClFO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

655.193995

ΔHf, kcal/mol:

-226.23

Dipole, Da:

5.11

IP(EA), eV:

 -9.01(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)F)C)Cl

DOS

IR

Vibrations