Geometry & MOs

Info

ID:

230891

PubChem CID:

87572206

Reduced:

F2S2N4O4H22C25 (1)

Stoich.:

A2B2C4D4E22F25 (1)

Weight, g/mol:

983.36934

ΔHf, kcal/mol:

-132.11

Dipole, Da:

7.16

IP(EA), eV:

 -9.18(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-bromo-4-[4-[1-(4-cyclopropylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC4=C(S3)N=CC=C4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations