Geometry & MOs

Info

ID:

186336

PubChem CID:

77421978

Reduced:

FSO3N4C33H41 (1)

Stoich.:

ABC3D4E33F41 (1)

Weight, g/mol:

871.399265

ΔHf, kcal/mol:

-104.21

Dipole, Da:

5.17

IP(EA), eV:

 -8.76(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-fluoro-2-[6-[5-[2-[4-fluoro-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC2=C(N=C1)OC3(CCC3)CC2NCC(C(CC4=CC(=CC(=C4)F)C5=NC=CS5)NC(=O)C6CC6)O

DOS

IR

Vibrations