Geometry & MOs

Info

ID:

439303

PubChem CID:

135229072

Reduced:

N5O8C34H49 (1)

Stoich.:

A5B8C34D49 (1)

Weight, g/mol:

627.399584

ΔHf, kcal/mol:

-364.4

Dipole, Da:

5.15

IP(EA), eV:

 -8.67(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-[3-(2-oxo-3-phenylmethoxypyridin-1-yl)propyl]piperazin-1-yl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(CCC(=O)N1CCN(CC1)C(=O)CCN2C=CC=C(C2=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations