Geometry & MOs

Info

ID:	394347
PubChem CID:	135022797
Reduced:	NSO9C33H39 (1)
Stoich.:	ABC9D33E39 (1)
Weight, g/mol:	527.197774
ΔH_f, kcal/mol:	-329.08
Dipole, Da:	2.85
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@]2(C[C@H]([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COS1(=O)=O

DOS

IR

Vibrations