Geometry & MOs

Info

ID:

106079

PubChem CID:

50148672

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-224.65

Dipole, Da:

5.22

IP(EA), eV:

 -8.84(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations