Geometry & MOs

Info

ID:	322027
PubChem CID:	126668320
Reduced:	O2S2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	274.047738
ΔH_f, kcal/mol:	-0.27
Dipole, Da:	7.44
IP(EA), eV:	-8.51(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl) 4-carboxyoxybenzoate

Drug info:

PubChemData

Smile

C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=C(C=C3)C4=CC=CS4

DOS

IR

Vibrations