Geometry & MOs

Info

ID:	402001
PubChem CID:	135053776
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	238.03571
ΔH_f, kcal/mol:	11.93
Dipole, Da:	5.4
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3R)-1-bromo-3-methylpent-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SSC2=CN=NC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations