Geometry & MOs

Info

ID:	29049
PubChem CID:	831321
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	4.15
IP(EA), eV:	-9.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yliminomethyl)-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C[C@@H](C1C(=O)NC(=O)NC1=O)C2=CC=CC=C2

DOS

IR

Vibrations