Geometry & MOs

Info

ID:	79553
PubChem CID:	49829472
Reduced:	SN5C25H37 (1)
Stoich.:	AB5C25D37 (1)
Weight, g/mol:	446.160363
ΔH_f, kcal/mol:	59.78
Dipole, Da:	5.19
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CCC(CC2)C3=NN=C(N3C)SCCN4CCCCC4

DOS

IR

Vibrations