Geometry & MOs

Info

ID:

409155

PubChem CID:

135081934

Reduced:

O4N5C9H9 (1)

Stoich.:

A4B5C9D9 (1)

Weight, g/mol:

1049.613434

ΔHf, kcal/mol:

7.1

Dipole, Da:

7.11

IP(EA), eV:

-10.26(-1.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carbamoylamino)-3-(4-hydroxyphenyl)propan-2-yl]carbamoylamino]pentan-2-yl]carbamoylamino]propan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propan-2-yl]carbamoylamino]pentan-2-yl]carbamoylamino]propan-2-yl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NCCN=[N+]=[N-]

DOS

IR

Vibrations