Geometry & MOs

Info

ID:

181988

PubChem CID:

76823082

Reduced:

N2O4C13H20 (2)

Stoich.:

A2B4C13D20 (2)

Weight, g/mol:

550.300264

ΔHf, kcal/mol:

-354.23

Dipole, Da:

5.43

IP(EA), eV:

 -9.51(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-hydroxypropoxy)ethyl N-[1-[[2-[[1-[(5-methyl-2-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C=O)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCCOCCCO

DOS

IR

Vibrations