Geometry & MOs

Info

ID:

115732

PubChem CID:

50532077

Reduced:

ClN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

694.268189

ΔHf, kcal/mol:

-201.34

Dipole, Da:

5.41

IP(EA), eV:

 -8.37(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C)Cl

DOS

IR

Vibrations