Geometry & MOs

Info

ID:

41977

PubChem CID:

8148018

Reduced:

SN2O4C19H27 (1)

Stoich.:

AB2C4D19E27 (1)

Weight, g/mol:

390.104301

ΔHf, kcal/mol:

-89.61

Dipole, Da:

7.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752002

Charge, e:

 1

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)methyl-methyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCCC[NH+](C)C

DOS

IR

Vibrations