Geometry & MOs

Info

ID:	72549
PubChem CID:	48416293
Reduced:	SF2O2N3C16H19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-164.88
Dipole, Da:	3.75
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(2-nitroanilino)propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)SC(F)F)N3CCNC3=O

DOS

IR

Vibrations