Geometry & MOs

Info

ID:	277144
PubChem CID:	103827006
Reduced:	BrClSN3O3C11H13 (1)
Stoich.:	ABCD3E3F11G13 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	5.16
IP(EA), eV:	-9.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC(=CC(=C2)Br)Cl)S(=O)(=O)N

DOS

IR

Vibrations