Geometry & MOs

Info

ID:	338062
PubChem CID:	127258693
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-158.74
Dipole, Da:	1.16
IP(EA), eV:	-9.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzylsulfanyl-4-nitrophenyl) 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OCC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations