Geometry & MOs

Info

ID:	209563
PubChem CID:	80688175
Reduced:	ClSN2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	287.085911
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	5.11
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCOC1)C2=NC(=C(S2)C=O)Cl

DOS

IR

Vibrations