Geometry & MOs

Info

ID:	141436
PubChem CID:	52877674
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	4.74
IP(EA), eV:	-8.96(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-1-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H]2CCN(C2)C(=O)C[C@@H]3CCC=C3

DOS

IR

Vibrations