Geometry & MOs

Info

ID:	163174
PubChem CID:	57653935
Reduced:	SiO6C7H18 (1)
Stoich.:	AB6C7D18 (1)
Weight, g/mol:	904.45433
ΔH_f, kcal/mol:	-392.68
Dipole, Da:	4.19
IP(EA), eV:	-9.89(1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-triethoxysilylpropyl)-4-[(6E)-2-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-6-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]cyclohexen-1-yl]sulfanylbenzamide

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

C(CC[Si](O)(O)O)COCC(CO)O

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

C(CC[Si](O)(O)O)COCC(CO)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):