Geometry & MOs

Info

ID:	185398
PubChem CID:	77296056
Reduced:	SO6C24H26 (1)
Stoich.:	AB6C24D26 (1)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-190.43
Dipole, Da:	4.05
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)diazinan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2(C(C(OC(C2(CC3=CC=CC=C3)O)OC4=CSC=C4)CO)O)O

DOS

IR

Vibrations