Geometry & MOs

Info

ID:	85430
PubChem CID:	49875053
Reduced:	S2N4H22C29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	384.127441
ΔH_f, kcal/mol:	216.09
Dipole, Da:	6.92
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-5-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=C(SC=C2)C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations