Geometry & MOs

Info

ID:	185117
PubChem CID:	77256882
Reduced:	N3O3C28H37 (1)
Stoich.:	A3B3C28D37 (1)
Weight, g/mol:	608.248868
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	1.15
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-benzothiazol-6-yl]phenyl]-1-cyanoethyl]carbamoyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCC(C1=NC=C(N1COCC2=CC=CC=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations