Geometry & MOs

Info

ID:	84694
PubChem CID:	49869340
Reduced:	ClNPSO6C24H27 (1)
Stoich.:	ABCDE6F24G27 (1)
Weight, g/mol:	511.059693
ΔH_f, kcal/mol:	-275.72
Dipole, Da:	3.3
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-2-[2-[2-chloro-4-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfanylphenyl]ethyl]pent-4-enyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(CCC1=C(C=C(C=C1)SC2=C(C=CC(=C2)OCC3=CC=CC=C3)O)Cl)(COP(=O)(O)O)N

DOS

IR

Vibrations