Geometry & MOs

Info

ID:	306818
PubChem CID:	125258671
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	340.145678
ΔH_f, kcal/mol:	-102.44
Dipole, Da:	2.72
IP(EA), eV:	-9.05(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR,8aR)-7-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CC[C@@H]3CO[C@@H]([C@H]3C2)CNS(=O)(=O)C

DOS

IR

Vibrations