Geometry & MOs

Info

ID:

419476

PubChem CID:

135108259

Reduced:

SO6N8C33H42 (1)

Stoich.:

AB6C8D33E42 (1)

Weight, g/mol:

347.111735

ΔHf, kcal/mol:

-187.44

Dipole, Da:

9.16

IP(EA), eV:

 -9.28(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC=CN4)C)C)C(C)C

DOS

IR

Vibrations