Geometry & MOs

Info

ID:	222794
PubChem CID:	85332518
Reduced:	BrSiN3O3C25H34 (1)
Stoich.:	ABC3D3E25F34 (1)
Weight, g/mol:	532.26857
ΔH_f, kcal/mol:	-134.25
Dipole, Da:	6.02
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-4-morpholin-4-ylbenzamide

Drug info:

PubChemData

Smile

CC(C(CCOC1=CC2=C(C=C1)C=CC(=C2)Br)N3C=C(N=C3)C(=O)N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations