Geometry & MOs

Info

ID:	423546
PubChem CID:	135119706
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	8.13
IP(EA), eV:	-8.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropylpyrrol-2-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CN=C(C=C1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations