Geometry & MOs

Info

ID:

392023

PubChem CID:

135012022

Reduced:

N2O4C23H24 (1)

Stoich.:

A2B4C23D24 (1)

Weight, g/mol:

775.361485

ΔHf, kcal/mol:

-131.14

Dipole, Da:

8.56

IP(EA), eV:

 -8.99(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-[8-[[(2S)-1-[(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-8-oxooctyl]-2-[(4-methylphenyl)sulfonylamino]-4,5-dihydroimidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC/C=C/1\C[C@H]2COC(=O)N2[C@@H]3C1=C(C[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5)C

DOS

IR

Vibrations