Geometry & MOs

Info

ID:	244262
PubChem CID:	99319618
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	416.122835
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	8.21
IP(EA), eV:	-9.74(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]ethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCCNC(=O)CC1=CC=CC=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations