Geometry & MOs

Info

ID:	84730
PubChem CID:	49869477
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	457.087959
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	1.31
IP(EA), eV:	-8.45(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-[2-chloro-4-(5-cyclopropyl-2-hydroxyphenyl)sulfanylphenyl]-2-methylbutyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(C2)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations