Geometry & MOs

Info

ID:	423343
PubChem CID:	135119335
Reduced:	O3N4C17H25 (2)
Stoich.:	A3B4C17D25 (2)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-250.35
Dipole, Da:	5.23
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-2,3-dimethylbenzenesulfonamide

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

CCN1C(=CC(=N1)C(C)C)C(=O)N[C@H]2CCCNC(=O)CN(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)C(C)C)C)CC3=CC=CC=C3)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

CCN1C(=CC(=N1)C(C)C)C(=O)N[C@H]2CCCNC(=O)CN(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)C(C)C)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):