Geometry & MOs

Info

ID:

132356

PubChem CID:

51348089

Reduced:

SO3N8C24H26 (1)

Stoich.:

AB3C8D24E26 (1)

Weight, g/mol:

390.134635

ΔHf, kcal/mol:

4.64

Dipole, Da:

3.45

IP(EA), eV:

 -8.93(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]-1,3-dioxolane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)CCN2C3=NC=NC(=C3N=C2SC4=CC5=C(C=C4C6=CC=NN6)OCO5)N

DOS

IR

Vibrations