Geometry & MOs

Info

ID:	435262
PubChem CID:	135187034
Reduced:	ClSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	803.010137
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	4.35
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)-1H-indole-3-sulfonamide;6-chloro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-3-sulfonamide

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

C1CCC(C(C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CN=C(C=N4)Cl)C(=O)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

C1CCC(C(C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CN=C(C=N4)Cl)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):