Geometry & MOs

Info

ID:	72576
PubChem CID:	48416322
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	5.81
IP(EA), eV:	-9.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N1CCCC(C1)N2CCNC2=O)C3=CC=CS3

DOS

IR

Vibrations