Geometry & MOs

Info

ID:	188848
PubChem CID:	77774174
Reduced:	ClSF2N5O8C36H48 (1)
Stoich.:	ABC2D5E8F36G48 (1)
Weight, g/mol:	321.097739
ΔH_f, kcal/mol:	-443.53
Dipole, Da:	5.47
IP(EA), eV:	-9.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinoline-1,3-dione;phosphoric acid

Drug info:

PubChemData

Smile

CCCNC(=O)C(C(C(C(C)C)N(C1CCCC1)C(=O)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)O)(F)F

DOS

IR

Vibrations