Geometry & MOs

Info

ID:	418171
PubChem CID:	135103746
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	2.13
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=COC=C3)C4=C1SC=C4

DOS

IR

Vibrations