Geometry & MOs

Info

ID:	147972
PubChem CID:	53787633
Reduced:	S2O3C9H12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	368.098334
ΔH_f, kcal/mol:	-269.56
Dipole, Da:	7.13
IP(EA), eV:	-8.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-phenylsulfanyl-1H-indol-2-yl)ethenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C2C(=C(C3=C1SC(S3)(CCO)CCO)C(=O)O)SC(S2)(CCO)CCO

DOS

IR

Vibrations