Geometry & MOs

Info

ID:	308367
PubChem CID:	125326579
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	4.53
IP(EA), eV:	-9.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4aR)-4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CC3=N[C@H](SC3)NC(=O)[C@@H]4C=CC=NC4=O

DOS

IR

Vibrations