Geometry & MOs

Info

ID:

231372

PubChem CID:

87573572

Reduced:

ClFSO2N3H13C18 (1)

Stoich.:

ABCD2E3F13G18 (1)

Weight, g/mol:

949.496279

ΔHf, kcal/mol:

-39.02

Dipole, Da:

2.75

IP(EA), eV:

 -9.02(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[4-(4-cyclohexylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,4-triazol-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N(C3N(C2=O)C=CS3)CC4=CN=C(C=C4)Cl)O)F

DOS

IR

Vibrations