Geometry & MOs

Info

ID:	423780
PubChem CID:	135120195
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	23.08
Dipole, Da:	4.12
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations