Geometry & MOs

Info

ID:	320219
PubChem CID:	126658750
Reduced:	N2O2S3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	539.357051
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	4.87
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[[(3R)-5-methoxy-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-3-methylbutyl] N-(6-aminohexyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=CC=C1)S(=O)(=O)NC2=NC=CS2)S

DOS

IR

Vibrations