Geometry & MOs

Info

ID:	244267
PubChem CID:	99319630
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	386.11227
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	3.89
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C1=O)C2=CC=CC3=CC=CC=C32)C(=O)NCCNC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations