Geometry & MOs

Info

ID:

105486

PubChem CID:

50111026

Reduced:

O5N6C30H38 (1)

Stoich.:

A5B6C30D38 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-189.92

Dipole, Da:

9.99

IP(EA), eV:

 -8.71(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations