Geometry & MOs

Info

ID:	388899
PubChem CID:	134990549
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-181.14
Dipole, Da:	8.37
IP(EA), eV:	-9.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-[(2E,4E)-4-(3-methyl-4-propanoyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)NC(=O)C

DOS

IR

Vibrations