Geometry & MOs

Info

ID:	159516
PubChem CID:	57288323
Reduced:	BrNO2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	390.204878
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	3.38
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-ditert-butyl-4-[[dimethyl-(5-methylfuran-2-yl)silyl]methylsulfanyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(CC1=CC=CN1)C2=C(C=C(C=C2)Br)CO

DOS

IR

Vibrations