Geometry & MOs

Info

ID:	380704
PubChem CID:	134971231
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-213.33
Dipole, Da:	8.01
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8R,8aR)-5-methyl-3-(2-methyl-5-oxo-3-pyrrolidin-1-ylfuran-2-yl)-8-propan-2-yl-3,4,4a,7,8,8a-hexahydroisochromen-1-one

Drug info:

PubChemData

Smile

CC1=CCS(=O)(=O)C1C[C@H](C2(C(=CC(=O)O2)N3CCCC3)C)O

DOS

IR

Vibrations