Geometry & MOs

Info

ID:	137213
PubChem CID:	52171158
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	59.18
Dipole, Da:	4.48
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CN4C=NC=N4

DOS

IR

Vibrations