Geometry & MOs

Info

ID:

149918

PubChem CID:

53789600

Reduced:

N4O7C32H36 (1)

Stoich.:

A4B7C32D36 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-253.91

Dipole, Da:

3.5

IP(EA), eV:

 -8.97(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[1-amino-1-imino-3-oxo-3-[4-(4-oxo-4-phenylmethoxybutyl)piperazin-1-yl]propan-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N)N[C@H](CCN2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)O

DOS

IR

Vibrations