Geometry & MOs

Info

ID:	224895
PubChem CID:	85630402
Reduced:	NSO3C6H10 (2)
Stoich.:	ABC3D6E10 (2)
Weight, g/mol:	242.069142
ΔH_f, kcal/mol:	-277.28
Dipole, Da:	4.26
IP(EA), eV:	-9.82(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4aH-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(CSSCC(C(=O)O)NC(=O)C)C(=O)O

DOS

IR

Vibrations