Geometry & MOs

Info

ID:	38444
PubChem CID:	8068034
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-167.23
Dipole, Da:	7.15
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylamino)-2-oxochromen-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2C[C@H](O[C@H](C2)C)C)OCC

DOS

IR

Vibrations