Geometry & MOs

Info

ID:	124795
PubChem CID:	50896381
Reduced:	IN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	289.99761
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	4.13
IP(EA), eV:	-9.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(diethoxymethylsulfanyl)benzene

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CC=CC=C1C(=O)OC.I

DOS

IR

Vibrations