Geometry & MOs

Info

ID:	322591
PubChem CID:	126670577
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	618.184938
ΔH_f, kcal/mol:	14.01
Dipole, Da:	1.8
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3C=CC=CC3O2)N

DOS

IR

Vibrations