Geometry & MOs

Info

ID:	243152
PubChem CID:	99216075
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	416.104208
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	4.46
IP(EA), eV:	-8.97(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-5-[[3-(2-ethoxy-2-oxoethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)C(=O)NCC(=O)N[C@H](C1=CC=CC=C1)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations