Geometry & MOs

Info

ID:	48631
PubChem CID:	11110168
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	326.06074
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	4.73
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-1-butylsulfanyl-1-methylselanylpenta-1,4-dien-3-yl]benzene

Drug info:

PubChemData

Smile

COC(=O)C1=CN([C@H]2C[C@@H]([C@@H]1O2)C3=CC=CO3)CC4=CC=CC=C4

DOS

IR

Vibrations