Geometry & MOs

Info

ID:	415926
PubChem CID:	135088928
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-217.22
Dipole, Da:	6.64
IP(EA), eV:	-9.35(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)CC2=CC=CC=C2C(=O)O)C(=O)O

DOS

IR

Vibrations