Geometry & MOs

Info

ID:	420265
PubChem CID:	135112140
Reduced:	N3O5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-138.8
Dipole, Da:	5.8
IP(EA), eV:	-9.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NON=C1OCCNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations