Geometry & MOs

Info

ID:	314251
PubChem CID:	126621051
Reduced:	ClSO3N5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	530.173625
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	3.35
IP(EA), eV:	-8.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-morpholin-4-yl-12-(thiomorpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1H-indole-5-carboxylic acid

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

CC(C1=CC2=C(N=C1)OC3=C2N=C(N=C3N4CCOCC4)Cl)N[S@](=O)C(C)(C)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

CC(C1=CC2=C(N=C1)OC3=C2N=C(N=C3N4CCOCC4)Cl)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):