Geometry & MOs

Info

ID:	418993
PubChem CID:	135107287
Reduced:	SN4O6C29H38 (1)
Stoich.:	AB4C6D29E38 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-232.77
Dipole, Da:	8.7
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[3-(2-ethylbenzimidazol-1-yl)propanoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CC3=CSC(=C3)C(=O)C

DOS

IR

Vibrations