Geometry & MOs

Info

ID:	68511
PubChem CID:	46508557
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	476.161722
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	5.27
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NC3=C(N=CC=C3)Cl

DOS

IR

Vibrations