Geometry & MOs

Info

ID:	418651
PubChem CID:	135106502
Reduced:	OCl2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	0.34
Dipole, Da:	1.93
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC2=C(C=CC=C2Cl)Cl)O)CC3=NC=CN=C3

DOS

IR

Vibrations