Geometry & MOs

Info

ID:

47384

PubChem CID:

10532135

Reduced:

N4O6C37H40 (1)

Stoich.:

A4B6C37D40 (1)

Weight, g/mol:

637.336315

ΔHf, kcal/mol:

-102.64

Dipole, Da:

3.03

IP(EA), eV:

 -7.58(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2CC(=O)OC)C(=C5C)C(=O)OC)N4)C=C)C)C=C)C)CCC(=O)OC

DOS

IR

Vibrations