Geometry & MOs

Info

ID:	201091
PubChem CID:	79488475
Reduced:	S2N3O4C12H15 (1)
Stoich.:	A2B3C4D12E15 (1)
Weight, g/mol:	256.251464
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	7.69
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-cyclopropyl-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)S(=O)(=O)N(C)CCC2=CC=CS2)C(=O)O

DOS

IR

Vibrations