Geometry & MOs

Info

ID:

188876

PubChem CID:

77778341

Reduced:

N3O7C31H47 (1)

Stoich.:

A3B7C31D47 (1)

Weight, g/mol:

597.252209

ΔHf, kcal/mol:

-352.4

Dipole, Da:

5.94

IP(EA), eV:

 -8.87(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-amino-2,2-diphenylacetyl)-1-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CCCC(C2)C(=O)NCC(CCC3=CC(=CC=C3)OC)C(=O)O

DOS

IR

Vibrations