Geometry & MOs

Info

ID:	82231
PubChem CID:	49855786
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	330.078662
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	9.74
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-(thiophene-2-carbonylamino)-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=CC4=CC=CC=C4C=C3)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations