Geometry & MOs

Info

ID:	194900
PubChem CID:	78606025
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	385.080636
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	6.17
IP(EA), eV:	-8.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2,3-dithiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

DOS

IR

Vibrations