Geometry & MOs

Info

ID:	421095
PubChem CID:	135115377
Reduced:	ClNSO4C19H28 (1)
Stoich.:	ABCD4E19F28 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-185.92
Dipole, Da:	5.57
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations