Geometry & MOs

Info

ID:

191179

PubChem CID:

78115474

Reduced:

O3Si3C46H88 (1)

Stoich.:

A3B3C46D88 (1)

Weight, g/mol:

532.256481

ΔHf, kcal/mol:

-403.87

Dipole, Da:

1.23

IP(EA), eV:

 -8.73(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(4-chloro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C)(C)CCCC(C)C1CCC2C1(CCC(=C2C=CC3=C(C(CC(C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C)C

DOS

IR

Vibrations