Geometry & MOs

Info

ID:	63029
PubChem CID:	26738116
Reduced:	FSO2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	401.112404
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	1.62
IP(EA), eV:	-8.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)F)C(=O)NNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations