Geometry & MOs

Info

ID:	391279
PubChem CID:	135004081
Reduced:	BrSF2O3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	365.16585
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	8.59
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitropent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(F)F)C2=CC(=CC=C2)Br

DOS

IR

Vibrations