Geometry & MOs

Info

ID:	162591
PubChem CID:	57395160
Reduced:	ClSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	359.149458
ΔH_f, kcal/mol:	-67.11
Dipole, Da:	4.18
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(furan-2-yl)-3-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations