Geometry & MOs

Info

ID:	155163
PubChem CID:	56320890
Reduced:	BrClON5C19H21 (1)
Stoich.:	ABCD5E19F21 (1)
Weight, g/mol:	467.08783
ΔH_f, kcal/mol:	37.69
Dipole, Da:	6.76
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations