Geometry & MOs

Info

ID:	72700
PubChem CID:	48416453
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	-154.04
Dipole, Da:	5.97
IP(EA), eV:	-9.12(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)N2CCCC(C2)N3CCNC3=O)S(=O)(=O)C

DOS

IR

Vibrations