Geometry & MOs

Info

ID:	37405
PubChem CID:	8020737
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	3.68
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

DOS

IR

Vibrations