Geometry & MOs

Info

ID:	200315
PubChem CID:	79376436
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	8.18
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)C)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations