Geometry & MOs

Info

ID:	436998
PubChem CID:	135213618
Reduced:	S2O6N7C16H21 (1)
Stoich.:	A2B6C7D16E21 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-102.81
Dipole, Da:	9.91
IP(EA), eV:	-8.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-[4-(2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)SCC2=NN(C3=C2C4CN(C3C(=O)N(C)C)C(=O)N4OS(=O)(=O)O)C

DOS

IR

Vibrations