Geometry & MOs

Info

ID:	168639
PubChem CID:	74997922
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	505.203528
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	2.87
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(benzylamino)-3-oxo-2-[[2-(4-phenylphenyl)acetyl]amino]propyl]sulfanyl-N-hydroxybutanamide

Drug info:

PubChemData

Smile

CCC(C)OC(=O)N1C(C(=S)NC2=C1C=C(C=C2)OC)CSC

DOS

IR

Vibrations