Geometry & MOs

Info

ID:	242741
PubChem CID:	99205965
Reduced:	BrSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	474.00713
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	7.69
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CSCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations