Geometry & MOs

Info

ID:	230386
PubChem CID:	87570761
Reduced:	O2N6H14C15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	1132.052097
ΔH_f, kcal/mol:	25.97
Dipole, Da:	0.84
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole

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

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3NC=O)N

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

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3NC=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):