Geometry & MOs

Info

ID:	422361
PubChem CID:	135117694
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	7.39
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)Cl

DOS

IR

Vibrations