Geometry & MOs

Info

ID:

416646

PubChem CID:

135089953

Reduced:

OSN4C14H20 (1)

Stoich.:

ABC4D14E20 (1)

Weight, g/mol:

613.304639

ΔHf, kcal/mol:

6.72

Dipole, Da:

5.46

IP(EA), eV:

 -9.07(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-13-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(N=CS3)C

DOS

IR

Vibrations