Geometry & MOs

Info

ID:	42364
PubChem CID:	8149477
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	3.29
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-chlorophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)[C@@H]3C[C@H]3C

DOS

IR

Vibrations