Geometry & MOs

Info

ID:	445770
PubChem CID:	135269420
Reduced:	NSF6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	382.309647
ΔH_f, kcal/mol:	-323.73
Dipole, Da:	6.91
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-3-(3-methylbutyl)-5-methylidene-2-(2-propan-2-ylphenyl)-4-propyl-2H-imidazo[4,5-d]imidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1NSC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations