Geometry & MOs

Info

ID:	177852
PubChem CID:	76243018
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	483.164165
ΔH_f, kcal/mol:	-169.22
Dipole, Da:	5.8
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-(4-acetylpiperazin-1-yl)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)COC(=O)C2=CC3=C(S2)CCCCCC3

DOS

IR

Vibrations