Geometry & MOs

Info

ID:

181987

PubChem CID:

76822980

Reduced:

FO2N4C24H27 (1)

Stoich.:

AB2C4D24E27 (1)

Weight, g/mol:

536.284614

ΔHf, kcal/mol:

-26.01

Dipole, Da:

5.52

IP(EA), eV:

 -8.7(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCON=C(C)C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=C(N(N=C3C)C)F

DOS

IR

Vibrations