Geometry & MOs

Info

ID:	279133
PubChem CID:	103841610
Reduced:	BrClNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	376.98519
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	4.79
IP(EA), eV:	-9.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations