Geometry & MOs

Info

ID:	449121
PubChem CID:	135296142
Reduced:	O2S2N3C7H11 (1)
Stoich.:	A2B2C3D7E11 (1)
Weight, g/mol:	746.643778
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	5.9
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dibutyl-[[(5Z)-3-tert-butyl-5-[[[(1R,2R)-2-[[(Z)-[3-tert-butyl-5-[[dibutyl(methyl)azaniumyl]methyl]-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-6-oxocyclohexa-1,3-dien-1-yl]methyl]-methylazanium

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CSC1=NNC2=C1CN(C2)S(=O)(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CSC1=NNC2=C1CN(C2)S(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):