Geometry & MOs

Info

ID:

168596

PubChem CID:

74992140

Reduced:

PN5O8C21H30 (1)

Stoich.:

AB5C8D21E30 (1)

Weight, g/mol:

548.332233

ΔHf, kcal/mol:

-360.48

Dipole, Da:

8.28

IP(EA), eV:

 -9.58(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[1-[[6-amino-1-[[1-[(1-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C(CCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

DOS

IR

Vibrations