Geometry & MOs

Info

ID:	150899
PubChem CID:	53790596
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	450.11944
ΔH_f, kcal/mol:	15.76
Dipole, Da:	5.56
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-bromohex-3-enyl)-1,2-bis(phenylmethoxy)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)S(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations