Geometry & MOs

Info

ID:	158489
PubChem CID:	56464005
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	429.07218
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	3.85
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-5-(cyclopropylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC(C)N(C)C3CC3)C4=CC=CS4

DOS

IR

Vibrations