Geometry & MOs

Info

ID:	414691
PubChem CID:	135087650
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	8.58
IP(EA), eV:	-9.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(4-ethoxy-3-methylphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)COC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations