Geometry & MOs

Info

ID:	423378
PubChem CID:	135119396
Reduced:	SO6N11C40H49 (1)
Stoich.:	AB6C11D40E49 (1)
Weight, g/mol:	355.037057
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	13.89
IP(EA), eV:	-8.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-thiophen-2-ylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

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

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC(=NN5)C6=CC=CN6C)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

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC(=NN5)C6=CC=CN6C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):