Geometry & MOs

Info

ID:

184877

PubChem CID:

77222772

Reduced:

SiN2O5C37H49 (1)

Stoich.:

AB2C5D37E49 (1)

Weight, g/mol:

516.219512

ΔHf, kcal/mol:

-195.62

Dipole, Da:

2.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765331

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-morpholin-4-ylbenzamide

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)OC(C)(C)C)C(CCOCC2=CC=CC=C2)C(C(C)(C)C)O[Si](C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations