Geometry & MOs

Info

ID:	383035
PubChem CID:	134974527
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-136.91
Dipole, Da:	5.35
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R,6R,6aS,10aS)-5-methyl-8-oxo-2,3,5,6,6a,7-hexahydro-1H-pyrrolo[2,1-i]indole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCC[C@H]([C@H]2O)OCC3=CC=CC=C3

DOS

IR

Vibrations