Geometry & MOs

Info

ID:	187075
PubChem CID:	77529122
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	2.36
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(6-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-(oxolan-2-ylmethyl)indol-2-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2CN3C(=O)C=CC4=C3N2C(=O)C=C4)NCC5=CC6=C(C=N5)OCS6

DOS

IR

Vibrations