Geometry & MOs

Info

ID:	376835
PubChem CID:	134222862
Reduced:	ClFNH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	555.174039
ΔH_f, kcal/mol:	8.72
Dipole, Da:	3.59
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-2-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-(1,3-benzothiazol-2-ylmethyl)-4-fluorocyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C=C/C(=C(\C(=C)N)/F)/C1=CC=CC=C1Cl

DOS

IR

Vibrations