Geometry & MOs

Info

ID:	82094
PubChem CID:	49855590
Reduced:	N2O2S2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	410.104876
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	4.23
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NS(=O)(=O)C3=CC=CS3)CN1

DOS

IR

Vibrations