Geometry & MOs

Info

ID:	61577
PubChem CID:	26710677
Reduced:	O2S2N4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	392.076553
ΔH_f, kcal/mol:	14.44
Dipole, Da:	2.62
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(S3)C4=CSC(=N4)C

DOS

IR

Vibrations