Geometry & MOs

Info

ID:	172522
PubChem CID:	75520884
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	316.069536
ΔH_f, kcal/mol:	26.14
Dipole, Da:	7.57
IP(EA), eV:	-9.51(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl)methyl 2-hydroxy-4-nitrobenzoate

Drug info:

PubChemData

Smile

COCC1=NSC(=N1)NC(=O)C2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations