Geometry & MOs

Info

ID:	423399
PubChem CID:	135119427
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	2.63
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-ethyl-2-naphthalen-1-ylsulfonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations