Geometry & MOs

Info

ID:	423026
PubChem CID:	135118788
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-191.55
Dipole, Da:	9.44
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations