Geometry & MOs

Info

ID:	417411
PubChem CID:	135093444
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-141.24
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(5-phenyl-1,2-oxazole-3-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CC[C@@H]([C@H](C4)O)O

DOS

IR

Vibrations