Geometry & MOs

Info

ID:	124345
PubChem CID:	50879925
Reduced:	SN2O3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	428.167083
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	4.11
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C(=O)O

DOS

IR

Vibrations