Geometry & MOs

Info

ID:	417733
PubChem CID:	135102623
Reduced:	N5O6C28H43 (1)
Stoich.:	A5B6C28D43 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-277.22
Dipole, Da:	8.34
IP(EA), eV:	-9.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(4-methoxy-2-methylbenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CCOC)C(C)C

DOS

IR

Vibrations