Geometry & MOs

Info

ID:	297807
PubChem CID:	117632398
Reduced:	FO5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-223.25
Dipole, Da:	1.93
IP(EA), eV:	-9.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenyl]benzenecarbothioic S-acid

Drug info:

PubChemData

Smile

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)F)O

DOS

IR

Vibrations