Geometry & MOs

Info

ID:	33949
PubChem CID:	7888956
Reduced:	FOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	369.100108
ΔH_f, kcal/mol:	-4.38
Dipole, Da:	7.1
IP(EA), eV:	-8.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxobenzo[f]chromen-1-yl)methyl 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations