Geometry & MOs

Info

ID:

312465

PubChem CID:

126605484

Reduced:

SO2N6C22H28 (1)

Stoich.:

AB2C6D22E28 (1)

Weight, g/mol:

830.349394

ΔHf, kcal/mol:

15.1

Dipole, Da:

2.79

IP(EA), eV:

 -8.31(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-chloro-4-[4-[4-[[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]piperazine-1-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CNCCN1C2=NC=NC(=C2N=C1SC3=CC4=C(C=C3C=C)OCCO4)N

DOS

IR

Vibrations