Geometry & MOs

Info

ID:	123174
PubChem CID:	50836421
Reduced:	ClOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	459.145516
ΔH_f, kcal/mol:	61.9
Dipole, Da:	4.05
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CN2C=CC=C2C3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations