Geometry & MOs

Info

ID:	416344
PubChem CID:	135089357
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	4.91
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCCC2=CC=C(C=C2)S(=O)(=O)N)N

DOS

IR

Vibrations