Geometry & MOs

Info

ID:	271442
PubChem CID:	103678846
Reduced:	BrClNOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	289.128963
ΔH_f, kcal/mol:	6.39
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(=O)NC2=CSC=C2)Br

DOS

IR

Vibrations