Geometry & MOs

Info

ID:	419181
PubChem CID:	135107682
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-102.67
Dipole, Da:	4.03
IP(EA), eV:	-9.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(2-anilino-2-methylpropanoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CNC(=O)N3

DOS

IR

Vibrations