Geometry & MOs

Info

ID:	415874
PubChem CID:	135088876
Reduced:	NSO6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-236.88
Dipole, Da:	8.39
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dihydroisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations