Geometry & MOs

Info

ID:

188422

PubChem CID:

77715968

Reduced:

N2O5C33H42 (1)

Stoich.:

A2B5C33D42 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-166.13

Dipole, Da:

4.94

IP(EA), eV:

 -8.35(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-methyl-2-[methyl-(2-phenylacetyl)amino]pentanoyl]amino]-4-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4

DOS

IR

Vibrations