Geometry & MOs

Info

ID:	382760
PubChem CID:	134974091
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	344.1171
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	2.9
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,6aR)-4-(bromomethyl)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CS/C(=C/2\C(=O)C3=CC=CC=C3N4C2=NC(C4)(C(C)(C)C)O)/N1

DOS

IR

Vibrations