Geometry & MOs

Info

ID:	395998
PubChem CID:	135027173
Reduced:	NSO2C37H45 (1)
Stoich.:	ABC2D37E45 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	3.33
IP(EA), eV:	-7.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aR,5S)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-benzyl-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC=C(S3)C)C4=CC=C(C=C4)OCCCCCC

DOS

IR

Vibrations