Geometry & MOs

Info

ID:	446395
PubChem CID:	135274656
Reduced:	NSO3C11H16 (2)
Stoich.:	ABC3D11E16 (2)
Weight, g/mol:	1042.68359
ΔH_f, kcal/mol:	-215.74
Dipole, Da:	8.74
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[[bis[2-[bis[2-(2-hydroperoxyethoxy)ethyl]amino]ethyl]amino]methyl-[2-[bis[3-(2-hydroxyethoxy)propyl]amino]ethyl]amino]ethyl-[3-(2-hydroxyethoxy)propyl]amino]propoxy]ethanol

Drug info:

PubChemData

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

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCN(C)C)CCOS(=O)(=O)C2=CC=C(C=C2)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

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCN(C)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):