Geometry & MOs

Info

ID:

110716

PubChem CID:

50337330

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-188.16

Dipole, Da:

6.82

IP(EA), eV:

 -8.93(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4)C(=O)NCC(C)C

DOS

IR

Vibrations