Geometry & MOs

Info

ID:

449415

PubChem CID:

135298408

Reduced:

O5N6C47H62 (1)

Stoich.:

A5B6C47D62 (1)

Weight, g/mol:

874.510532

ΔHf, kcal/mol:

-192.65

Dipole, Da:

6.6

IP(EA), eV:

 -8.71(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(azetidine-1-carbonyloxy)-2-(1-methylcyclopropyl)propanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-(1-methylcyclopropyl)-1-oxopropan-2-yl] azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(C2CCC(O1)CC2)C(=O)N[C@H](C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@H](C(C)(C)C)NC(=O)C7(C8CCC(O7)CC8)CO)C(C)(C)C

DOS

IR

Vibrations