Geometry & MOs

Info

ID:	13816
PubChem CID:	398747
Reduced:	NO2S2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	508.061892
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	6.64
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]disulfanyl]phenyl]-[(4R)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]methanone

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

C1[C@@H](N(CS1)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CSC[C@H]4CO)CO

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

C1[C@@H](N(CS1)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CSC[C@H]4CO)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):