Geometry & MOs

Info

ID:	37156
PubChem CID:	8017604
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	321.049336
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations