Geometry & MOs

Info

ID:	56096
PubChem CID:	17404368
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	422.15902
ΔH_f, kcal/mol:	-14.1
Dipole, Da:	2.42
IP(EA), eV:	-9.12(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

DOS

IR

Vibrations