Geometry & MOs

Info

ID:	303883
PubChem CID:	124490590
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	365.96738
ΔH_f, kcal/mol:	-166.65
Dipole, Da:	2.2
IP(EA), eV:	-10.17(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-9-bromo-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H](C1(C)C)O)C(=O)OC

DOS

IR

Vibrations