Geometry & MOs

Info

ID:	72557
PubChem CID:	48416302
Reduced:	SO2N5C21H29 (1)
Stoich.:	AB2C5D21E29 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	6.88
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-phenylsulfanylpyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations