Geometry & MOs

Info

ID:

95028

PubChem CID:

50005834

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-170.15

Dipole, Da:

3.78

IP(EA), eV:

 -8.54(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamidoanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations