Geometry & MOs

Info

ID:	148087
PubChem CID:	53787749
Reduced:	SCl2N2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	445.083138
ΔH_f, kcal/mol:	-2.41
Dipole, Da:	4.29
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiophen-3-ylmethyl 3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CN(C)C1CC(CCCC1N(C2=CC=CC=C2)C(=S)CCCl)Cl

DOS

IR

Vibrations