Geometry & MOs

Info

ID:	157383
PubChem CID:	56423146
Reduced:	O4N6H24C25 (1)
Stoich.:	A4B6C24D25 (1)
Weight, g/mol:	441.132471
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	9.12
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxobenzo[f]chromen-1-yl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=C2)NC(=O)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations