Geometry & MOs

Info

ID:	84693
PubChem CID:	49869339
Reduced:	ClNPSO6C26H31 (1)
Stoich.:	ABCDE6F26G31 (1)
Weight, g/mol:	523.098524
ΔH_f, kcal/mol:	-284.97
Dipole, Da:	2.45
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-[2-chloro-4-(2-hydroxy-5-phenylmethoxyphenyl)sulfanylphenyl]-2-methylbutyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC[C@](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