Geometry & MOs

Info

ID:	136322
PubChem CID:	52019924
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	497.08122
ΔH_f, kcal/mol:	-88.45
Dipole, Da:	9.05
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-chloro-1-methyl-4-oxocinnoline-3-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C(C2=O)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC)C

DOS

IR

Vibrations