Geometry & MOs

Info

ID:	313457
PubChem CID:	126614834
Reduced:	IOSC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	2.49
Dipole, Da:	3.55
IP(EA), eV:	-9.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methoxyphenyl)methylamino]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanol

Drug info:

PubChemData

Smile

C1C=C(C=CC1S)C(=O)I

DOS

IR

Vibrations