Geometry & MOs

Info

ID:	387167
PubChem CID:	134984271
Reduced:	NSF3O4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	271.123985
ΔH_f, kcal/mol:	-210.36
Dipole, Da:	8.94
IP(EA), eV:	-9.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-nitrobut-1-ynyl]-trimethylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@]2(C(C3=CC=CC=C3)(C4=CC=CO4)O)C(F)(F)F

DOS

IR

Vibrations