Geometry & MOs

Info

ID:	320256
PubChem CID:	126659034
Reduced:	ClN2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	588.322417
ΔH_f, kcal/mol:	67.77
Dipole, Da:	4.38
IP(EA), eV:	-8.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethylpentan-2-yl 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxopyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2CS/C(=C(/C#N)\N(C)C(=C)C)/S2)Cl

DOS

IR

Vibrations