Geometry & MOs

Info

ID:	187872
PubChem CID:	77637569
Reduced:	Cl2N2O2C25H40 (1)
Stoich.:	A2B2C2D25E40 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	4.65
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-[[2-(1H-indol-2-yl)phenyl]methyl]-6-oxo-2-thiophen-2-yl-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC(=C1)CC(C(CNCC2=CC=CC(=C2)CC)O)N.Cl.Cl

DOS

IR

Vibrations