Geometry & MOs

Info

ID:

219800

PubChem CID:

85164909

Reduced:

S3O5N7C25H25 (1)

Stoich.:

A3B5C7D25E25 (1)

Weight, g/mol:

599.343132

ΔHf, kcal/mol:

-27.25

Dipole, Da:

6.03

IP(EA), eV:

 -9.07(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(1H-benzimidazol-2-ylmethylamino)-3,4-dioxobutan-2-yl]-2-[[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N',N'-dimethylbutanediamide

Drug info:

PubChemData

Smile

CC(C)(C)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=CC=NN4C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations