Geometry & MOs

Info

ID:	143582
PubChem CID:	53230300
Reduced:	BrN3O4H28C31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	379.163742
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[3-(3,3,5-trimethyl-1,1-dioxo-1,2-benzothiazol-2-yl)prop-2-ynoxy]silane

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3OCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations