Geometry & MOs

Info

ID:	192339
PubChem CID:	78258009
Reduced:	SN4O5C13H16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	3.82
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CSC2C(=O)NC(=O)NN2)OC

DOS

IR

Vibrations