Geometry & MOs

Info

ID:	417457
PubChem CID:	135094723
Reduced:	SO7N8C34H44 (1)
Stoich.:	AB7C8D34E44 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-190.0
Dipole, Da:	5.24
IP(EA), eV:	-8.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one

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

CCC1=C(N=CO1)C(=O)N2CCN(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC4=CC=CC=C4)C)C(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

CCC1=C(N=CO1)C(=O)N2CCN(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC4=CC=CC=C4)C)C(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):