Geometry & MOs

Info

ID:	189115
PubChem CID:	77819405
Reduced:	N4O4C33H52 (1)
Stoich.:	A4B4C33D52 (1)
Weight, g/mol:	383.085911
ΔH_f, kcal/mol:	-204.81
Dipole, Da:	1.97
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]prop-1-enylamino]ethylidene]acetamide

Drug info:

PubChemData

Smile

CCCCCN1C2=C(C=CC(=C2)N(C3CC3)C(=O)C4CC(CNC4)C(=O)NC(CCC)CC(C)C)OC(C1=O)(C)C

DOS

IR

Vibrations