Geometry & MOs

Info

ID:	150504
PubChem CID:	53790196
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	433.036241
ΔH_f, kcal/mol:	-100.4
Dipole, Da:	3.02
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-methylbutanethioic S-acid

Drug info:

PubChemData

Smile

CC(C)(CCN1C=CN=C1)NCC(C2=CC(=C(C=C2)O)CO)O

DOS

IR

Vibrations