Geometry & MOs

Info

ID:	44796
PubChem CID:	10505980
Reduced:	SN2O4C30H30 (1)
Stoich.:	AB2C4D30E30 (1)
Weight, g/mol:	514.240248
ΔH_f, kcal/mol:	-87.08
Dipole, Da:	7.17
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(4-aminobutyl)-2-(1H-indol-3-ylmethyl)-7-(naphthalen-1-ylmethyl)-1,4,7-thiadiazonane-3,6-dione

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

DOS

IR

Vibrations