Geometry & MOs

Info

ID:	46378
PubChem CID:	10524146
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	385.080636
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	1.17
IP(EA), eV:	-9.37(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,3aR)-2-(benzenesulfonyl)-3-prop-2-enylsulfanyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H]2CC=C([C@]2(CN1C(=O)OC(C)(C)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations