Geometry & MOs

Info

ID:	394750
PubChem CID:	135023684
Reduced:	SO4C8H16 (1)
Stoich.:	AB4C8D16 (1)
Weight, g/mol:	329.089937
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	5.64
IP(EA), eV:	-9.72(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-methylbenzoate

Drug info:

PubChemData

Smile

C[C@H](COS(=O)(=O)C)[C@@H]1CCCO1

DOS

IR

Vibrations