Geometry & MOs

Info

ID:	175068
PubChem CID:	75850960
Reduced:	SCl2N2O3C16H18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	4.34
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyanopropyl 3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CSCCC(C(=O)OCCCC#N)NC(=O)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations