Geometry & MOs

Info

ID:

108049

PubChem CID:

50228235

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-193.1

Dipole, Da:

2.78

IP(EA), eV:

 -8.86(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC(=C4)C)F)C

DOS

IR

Vibrations