Geometry & MOs

Info

ID:

319727

PubChem CID:

126657125

Reduced:

O2N5C14H19 (1)

Stoich.:

A2B5C14D19 (1)

Weight, g/mol:

1064.465752

ΔHf, kcal/mol:

-44.44

Dipole, Da:

6.67

IP(EA), eV:

-9.02(-0.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

S-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[2-[[[4-[(2-amino-2-oxoethyl)carbamoyl]-1,3-thiazol-2-yl]carbamoylamino]methyl]phenoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate

Drug info:

PubChemData

Smile

CNC(=O)CNC(=O)C1=CC(=CC=C1)NC2=NCCCN2

DOS

IR

Vibrations