Geometry & MOs

Info

ID:	312236
PubChem CID:	126603770
Reduced:	SF2O2N5H17C21 (1)
Stoich.:	AB2C2D5E17F21 (1)
Weight, g/mol:	325.188923
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	3.43
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] carbamate

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)N1CC[C@H](C1)N2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(S4)C(F)F

DOS

IR

Vibrations