Geometry & MOs

Info

ID:	157329
PubChem CID:	56422887
Reduced:	FO4N5H20C22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	438.153934
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	4.72
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)CCNC(=O)C3=NNC4=CC=CC=C43)F

DOS

IR

Vibrations