Geometry & MOs

Info

ID:	424799
PubChem CID:	135123968
Reduced:	O3N5C35H39 (1)
Stoich.:	A3B5C35D39 (1)
Weight, g/mol:	504.103432
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	2.8
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-fluoro-N-[2-oxo-7-(2-pyrazol-1-ylethoxy)spiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide

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

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)NC5=CN=CC=C5)C)N=N1

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

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)NC5=CN=CC=C5)C)N=N1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):