Geometry & MOs

Info

ID:	39623
PubChem CID:	8141678
Reduced:	ClN2O2S2C18H19 (1)
Stoich.:	AB2C2D2E18F19 (1)
Weight, g/mol:	394.021262
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	5.98
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethoxy-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CC=C(S5)Cl

DOS

IR

Vibrations