Geometry & MOs

Info

ID:	84224
PubChem CID:	49865065
Reduced:	N2Cl3O5C32H35 (1)
Stoich.:	A2B3C5D32E35 (1)
Weight, g/mol:	386.175619
ΔH_f, kcal/mol:	-166.89
Dipole, Da:	7.86
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-2-[[1-[(3-methylphenyl)methyl]pyridin-1-ium-4-yl]methylidene]-6-propoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C[C@H](C(=O)N)C(=O)N(CC3=C(C=CC(=C3)CCOC)Cl)C4CC4)Cl

DOS

IR

Vibrations