Geometry & MOs

Info

ID:	84731
PubChem CID:	49869478
Reduced:	ClNPSO5C20H25 (1)
Stoich.:	ABCDE5F20G25 (1)
Weight, g/mol:	501.114173
ΔH_f, kcal/mol:	-253.24
Dipole, Da:	4.11
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-2-[2-[2-chloro-4-(5-cyclopropyloxy-2-hydroxyphenyl)sulfanylphenyl]ethyl]pentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(CCC1=C(C=C(C=C1)SC2=C(C=CC(=C2)C3CC3)O)Cl)(COP(=O)(O)O)N

DOS

IR

Vibrations