Geometry & MOs

Info

ID:

26026

PubChem CID:

636403

Reduced:

O7C34H50 (1)

Stoich.:

A7B34C50 (1)

Weight, g/mol:

405.176067

ΔHf, kcal/mol:

-383.24

Dipole, Da:

6.54

IP(EA), eV:

 -9.55(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O

DOS

IR

Vibrations