Geometry & MOs

Info

ID:

104727

PubChem CID:

50104972

Reduced:

SO4N5C30H41 (1)

Stoich.:

AB4C5D30E41 (1)

Weight, g/mol:

565.32642

ΔHf, kcal/mol:

-158.35

Dipole, Da:

8.84

IP(EA), eV:

 -8.3(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations