Geometry & MOs

Info

ID:	422140
PubChem CID:	135117279
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-170.89
Dipole, Da:	2.69
IP(EA), eV:	-9.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations