Geometry & MOs

Info

ID:

314264

PubChem CID:

126621081

Reduced:

ClSO2N5C18H18 (1)

Stoich.:

ABC2D5E18F18 (1)

Weight, g/mol:

451.108103

ΔHf, kcal/mol:

11.65

Dipole, Da:

2.91

IP(EA), eV:

 -8.94(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1R)-1-(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)ethyl]-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CN(C)C(=O)/C=C/C1=CC2=C(N=C1)SC3=C2N=C(N=C3N4CCOCC4)Cl

DOS

IR

Vibrations