Geometry & MOs

Info

ID:

106406

PubChem CID:

50162273

Reduced:

ClO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-210.84

Dipole, Da:

5.06

IP(EA), eV:

 -8.27(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations