Geometry & MOs

Info

ID:	231578
PubChem CID:	87574181
Reduced:	BrClN2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	378.095952
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	6.75
IP(EA), eV:	-9.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenecarbothioic S-acid;2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C(=O)O)C1(CC1)COC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations