Geometry & MOs

Info

ID:	194673
PubChem CID:	78573161
Reduced:	SN2O6H16C17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-153.14
Dipole, Da:	3.09
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations