Geometry & MOs

Info

ID:	155021
PubChem CID:	56314591
Reduced:	BrSN3O4C19H26 (1)
Stoich.:	ABC3D4E19F26 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.37
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzoyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC=C(C=C3)Br)S(=O)(=O)C

DOS

IR

Vibrations