Geometry & MOs

Info

ID:	338447
PubChem CID:	127259139
Reduced:	SO5C14H14 (1)
Stoich.:	AB5C14D14 (1)
Weight, g/mol:	224.043321
ΔH_f, kcal/mol:	-155.77
Dipole, Da:	4.69
IP(EA), eV:	-9.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CO2)OC(=O)C

DOS

IR

Vibrations