Geometry & MOs

Info

ID:	242738
PubChem CID:	99205951
Reduced:	BrSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	434.06636
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	4.98
IP(EA), eV:	-8.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations