Geometry & MOs

Info

ID:	392588
PubChem CID:	135017283
Reduced:	SN3O5C30H45 (1)
Stoich.:	AB3C5D30E45 (1)
Weight, g/mol:	315.204573
ΔH_f, kcal/mol:	-219.34
Dipole, Da:	4.4
IP(EA), eV:	-8.26(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,10S,11S)-10,11-bis[(2-methylpropan-2-yl)oxy]-4,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)CCN3CCC=C(C3)[C@@H](C)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations