Geometry & MOs

Info

ID:	402964
PubChem CID:	135058095
Reduced:	NSiC25H35 (1)
Stoich.:	ABC25D35 (1)
Weight, g/mol:	670.125079
ΔH_f, kcal/mol:	11.95
Dipole, Da:	1.61
IP(EA), eV:	-9.12(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-4-[4-acetyl-7-acetyloxy-2-(4-nitrophenyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-yl]-2,3,4-triacetyloxybutyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)N=C/C(=C/[Si](C)(C)C1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations