Geometry & MOs

Info

ID:	437295
PubChem CID:	135221970
Reduced:	N4C47H72 (1)
Stoich.:	A4B47C72 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	0.89
IP(EA), eV:	-8.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazol-6-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)CN2CCN(C[C@@H]2CC3=CC4=CC=CC=C4C=C3)CCCC[C@H]5CNCCN5CC6CCC(CC6)C(C)(C)C

DOS

IR

Vibrations