Geometry & MOs

Info

ID:	420278
PubChem CID:	135112215
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	374.097014
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	5.31
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-7-methyl-9-(4-methylsulfonylphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations