Geometry & MOs

Info

ID:

421776

PubChem CID:

135116599

Reduced:

SN4O4C17H24 (1)

Stoich.:

AB4C4D17E24 (1)

Weight, g/mol:

617.332568

ΔHf, kcal/mol:

-147.86

Dipole, Da:

5.22

IP(EA), eV:

 -9.57(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-7,12-dimethyl-13-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)CCNC(=O)C2=CC=C(C=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations