Geometry & MOs

Info

ID:	50063
PubChem CID:	11539119
Reduced:	ClS2O3N4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	425.111067
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	8.21
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-methoxy-4-nitrophenoxy)butoxy]furo[3,2-g]chromen-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(CC3=NN=CC=C3)O

DOS

IR

Vibrations