Geometry & MOs

Info

ID:

104633

PubChem CID:

50104781

Reduced:

N5O6C31H43 (1)

Stoich.:

A5B6C31D43 (1)

Weight, g/mol:

579.305684

ΔHf, kcal/mol:

-231.18

Dipole, Da:

6.31

IP(EA), eV:

 -8.51(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]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=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations