Geometry & MOs

Info

ID:	220379
PubChem CID:	85182273
Reduced:	NSO6C25H27 (1)
Stoich.:	ABC6D25E27 (1)
Weight, g/mol:	470.194068
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	5.24
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]butyl 3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations