Geometry & MOs

Info

ID:	32751
PubChem CID:	7847957
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	385.108086
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	2.69
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanophenyl)methyl (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

DOS

IR

Vibrations