Geometry & MOs

Info

ID:	163112
PubChem CID:	57641687
Reduced:	SiN3O4C24H41 (1)
Stoich.:	AB3C4D24E41 (1)
Weight, g/mol:	597.277361
ΔH_f, kcal/mol:	-184.28
Dipole, Da:	1.05
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCCCCCCCOC1=C(C=CC(=C1)N=[N+]=[N-])C(=O)OC

DOS

IR

Vibrations