Geometry & MOs

Info

ID:

417387

PubChem CID:

135093007

Reduced:

SN7O7C31H43 (1)

Stoich.:

AB7C7D31E43 (1)

Weight, g/mol:

323.136887

ΔHf, kcal/mol:

-321.63

Dipole, Da:

7.56

IP(EA), eV:

 -8.55(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CC2=C(NC(=O)NC2=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations