Geometry & MOs

Info

ID:

118702

PubChem CID:

50654868

Reduced:

ClFO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-213.86

Dipole, Da:

7.48

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations