Geometry & MOs

Info

ID:	158321
PubChem CID:	56463355
Reduced:	BrOS2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	402.06128
ΔH_f, kcal/mol:	41.52
Dipole, Da:	3.64
IP(EA), eV:	-8.78(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfonyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CSC(=N1)C2=CC(=CS2)Br)N(C)C3CC3

DOS

IR

Vibrations