Geometry & MOs

Info

ID:	308574
PubChem CID:	126497067
Reduced:	PN7O9C53H56 (1)
Stoich.:	AB7C9D53E56 (1)
Weight, g/mol:	183.056529
ΔH_f, kcal/mol:	-235.05
Dipole, Da:	7.87
IP(EA), eV:	-8.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminopentan-2-yl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCC(=O)NCC(=O)NC(C)C(=O)NC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N(C[C@@H]4CC5=CC=CC=C5N4C3=O)P)OC)COC6=C(C=C7C(=C6)N=CC8CC9=CC=CC=C9N8C7=O)OC

DOS

IR

Vibrations