Geometry & MOs

Info

ID:	43879
PubChem CID:	10321922
Reduced:	SO6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	458.166414
ΔH_f, kcal/mol:	-208.44
Dipole, Da:	4.46
IP(EA), eV:	-9.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[6-(naphthalen-1-ylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl] 2-(4-methoxyphenyl)ethanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CC[C@@]3(C=C[C@H](CO3)COCC4=CC=CC=C4)OC2

DOS

IR

Vibrations