Geometry & MOs

Info

ID:	79654
PubChem CID:	49829857
Reduced:	N2O3H8C10 (2)
Stoich.:	A2B3C8D10 (2)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	4.12
IP(EA), eV:	-9.6(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]-3-(4-ethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN[C@]2(C1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations