Geometry & MOs

Info

ID:	82232
PubChem CID:	49855787
Reduced:	SO3N4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	9.33
IP(EA), eV:	-9.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NC(=O)C3=CC=CS3)CN1C4=NC=C(C=N4)C(=O)O

DOS

IR

Vibrations