Geometry & MOs

Info

ID:	168519
PubChem CID:	74982389
Reduced:	FN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	515.210344
ΔH_f, kcal/mol:	-189.8
Dipole, Da:	0.91
IP(EA), eV:	-9.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC2=CN3C(C(C(C(C3=N2)O)O)O)CO)F

DOS

IR

Vibrations