Geometry & MOs

Info

ID:	414811
PubChem CID:	135087774
Reduced:	NSO2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-169.63
Dipole, Da:	6.42
IP(EA), eV:	-9.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(2,3-dimethylquinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations