Geometry & MOs

Info

ID:	427548
PubChem CID:	135159762
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	6.82
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-formyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)/C=C\N=C(C)C1=NCC(=C2N1CC(C2)NSC)C(=O)OC

DOS

IR

Vibrations