Geometry & MOs

Info

ID:

449757

PubChem CID:

135301219

Reduced:

O3N5C22H30 (2)

Stoich.:

A3B5C22D30 (2)

Weight, g/mol:

754.478169

ΔHf, kcal/mol:

-157.25

Dipole, Da:

10.19

IP(EA), eV:

 -8.6(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(1S)-1-[5-[4-[4-[2-[(1S)-1-[(2-hydroxy-2,3,3-trimethylbutanoyl)amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2,3,3-trimethyl-1-oxobutan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=NC=C(N1)C2=NC=C(N=C2)C3=CC=C(C=C3)C4=CN=C(N4)C(C(C)(C)C)NC(=O)C(CC)(C5(CC5)C)OC(=O)N(C)C)(C6(CC6)C)OC(=O)N(C)C

DOS

IR

Vibrations