Geometry & MOs

Info

ID:	243482
PubChem CID:	99224305
Reduced:	SN2O5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	456.05185
ΔH_f, kcal/mol:	-185.88
Dipole, Da:	3.32
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-fluorophenyl)sulfonyl-[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)S(=O)(=O)C2=CC(=C(C=C2C)OC)OC

DOS

IR

Vibrations