Geometry & MOs

Info

ID:	84339
PubChem CID:	49865922
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-benzyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC2C[C@H]3CC[C@@H](C2)N3CC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations