Geometry & MOs

Info

ID:

902

PubChem CID:

3507

Reduced:

SO5N7C42H47 (1)

Stoich.:

AB5C7D42E47 (1)

Weight, g/mol:

761.335939

ΔHf, kcal/mol:

-123.41

Dipole, Da:

6.35

IP(EA), eV:

 -8.7(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(1H-benzimidazol-2-ylmethylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]-2-[2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C(NC(S1)C(C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(CC(=O)NCC5=NC6=CC=CC=C6N5)O)C

DOS

IR

Vibrations