Geometry & MOs

Info

ID:	204330
PubChem CID:	79949652
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	343.02416
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	1.76
IP(EA), eV:	-8.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-bromoanilino)-5-methylthiolane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(SC1)C)NC2=CC=CC=C2

DOS

IR

Vibrations