Geometry & MOs

Info

ID:	166977
PubChem CID:	74760847
Reduced:	ClSN3O4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-103.32
Dipole, Da:	3.12
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(3-cyanoanilino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C=CC3=CC=C(C=C3)Cl)N)C

DOS

IR

Vibrations