Geometry & MOs

Info

ID:	264110
PubChem CID:	103429182
Reduced:	BrNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	261.032334
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	5.15
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations