Geometry & MOs

Info

ID:	68579
PubChem CID:	46508689
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	7.12
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-5-ethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations