Geometry & MOs

Info

ID:

325093

PubChem CID:

126680607

Reduced:

F2O2N3C20H23 (2)

Stoich.:

A2B2C3D20E23 (2)

Weight, g/mol:

392.185983

ΔHf, kcal/mol:

-288.31

Dipole, Da:

5.03

IP(EA), eV:

 -8.53(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S,3R)-1-[(2S)-2-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H](N1C2=CC(=C(C(=C2)F)N3CCC(CC3)C4=CC=C(C=C4)F)F)C5=CC6=C(C=C5F)N=C(N6)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)OC)NC(=O)OC

DOS

IR

Vibrations