Geometry & MOs

Info

ID:	35614
PubChem CID:	7980101
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	2.08
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl (2S,5R)-2,7-dimethyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2[C@@H](C(=C(N=C2S1)C)C(=O)OCC(C)C)C3=CC=CS3

DOS

IR

Vibrations