Geometry & MOs

Info

ID:

179176

PubChem CID:

76446331

Reduced:

OCl2N4F5H21C22 (1)

Stoich.:

AB2C4D5E21F22 (1)

Weight, g/mol:

982.470124

ΔHf, kcal/mol:

-256.43

Dipole, Da:

5.91

IP(EA), eV:

 -8.47(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[6-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C=NNC(=O)NCC(F)F

DOS

IR

Vibrations