Geometry & MOs

Info

ID:	448947
PubChem CID:	135294667
Reduced:	IOSN7C27H32 (1)
Stoich.:	ABCD7E27F32 (1)
Weight, g/mol:	564.208279
ΔH_f, kcal/mol:	85.99
Dipole, Da:	5.08
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butylphenyl)-5-[[2-(4-butylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[C@H](N(C1CCC2=CC(=CCC12)C3=NC(=NC=C3)NC4=CN(N=C4)C)C(=O)C5=CN=C(S5)C(C)(C)C)I

DOS

IR

Vibrations