Geometry & MOs

Info

ID:	130911
PubChem CID:	51126432
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	4.71
IP(EA), eV:	-8.51(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC=C)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations