Geometry & MOs

Info

ID:

299160

PubChem CID:

117673592

Reduced:

O2N5C26H31 (1)

Stoich.:

A2B5C26D31 (1)

Weight, g/mol:

638.282838

ΔHf, kcal/mol:

47.43

Dipole, Da:

1.64

IP(EA), eV:

 -8.94(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S)-3-amino-4-fluorobutyl]-N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](CN1C(=C)C2=CC=CC=C2N3N=CC=N3)OC4=NC=CC(=C4)C(C)(C5CC5)O

DOS

IR

Vibrations