Geometry & MOs

Info

ID:	165220
PubChem CID:	74519727
Reduced:	OCl2S2N3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	389.126323
ΔH_f, kcal/mol:	59.85
Dipole, Da:	3.99
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[3-(3-acetamidophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=C2C(=O)N(C(=S)S2)CC=C)Cl)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations