Geometry & MOs

Info

ID:	175066
PubChem CID:	75850958
Reduced:	NSO6C22H23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-175.55
Dipole, Da:	7.17
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)OCCCC#N)OC

DOS

IR

Vibrations