Geometry & MOs

Info

ID:	400069
PubChem CID:	135045011
Reduced:	SO10C23H26 (1)
Stoich.:	AB10C23D26 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-367.65
Dipole, Da:	4.95
IP(EA), eV:	-9.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-methyl-6-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=C3C(=C1O[C@H]4C(C([C@@H](C(O4)CO)O)O)O)[C@H](OC3=O)/C=C/C=C/CCO)CO

DOS

IR

Vibrations