Geometry & MOs

Info

ID:

231019

PubChem CID:

87572470

Reduced:

ClN2O4C22H27 (1)

Stoich.:

AB2C4D22E27 (1)

Weight, g/mol:

965.386986

ΔHf, kcal/mol:

-122.56

Dipole, Da:

7.05

IP(EA), eV:

 -8.88(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC(=CC=C3)OC)NC(=O)O

DOS

IR

Vibrations