Geometry & MOs

Info

ID:

178802

PubChem CID:

76383760

Reduced:

NSSi2O4C35H65 (1)

Stoich.:

ABC2D4E35F65 (1)

Weight, g/mol:

729.410149

ΔHf, kcal/mol:

-287.93

Dipole, Da:

3.93

IP(EA), eV:

-8.85(-0.68)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cyclohexyl 4-[[6-amino-1-[(4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-1-oxohexan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(CC(C)C)C1=NC(=CS1)C(C(C)C=CC=C(C)C(C(C)C(C=C)O[Si](C)(C)C(C)(C)C)OC)O

DOS

IR

Vibrations