Geometry & MOs

Info

ID:	297083
PubChem CID:	117608071
Reduced:	N3O7C24H37 (1)
Stoich.:	A3B7C24D37 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-304.8
Dipole, Da:	3.11
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN2CCOCC2

DOS

IR

Vibrations