Geometry & MOs

Info

ID:	418186
PubChem CID:	135103781
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	2.09
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations