Geometry & MOs

Info

ID:	291790
PubChem CID:	113506074
Reduced:	BrO2S2N3C10H12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-24.26
Dipole, Da:	4.31
IP(EA), eV:	-9.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[(3-hydroxy-2-methylbutan-2-yl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC(C)C2=NC=CN2

DOS

IR

Vibrations