Geometry & MOs

Info

ID:	135646
PubChem CID:	51908953
Reduced:	S2N3O5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-177.0
Dipole, Da:	2.46
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=C(N(C(=C2)C)[C@H]3CCS(=O)(=O)C3)C)C

DOS

IR

Vibrations