Geometry & MOs

Info

ID:	362072
PubChem CID:	127305684
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	3.59
IP(EA), eV:	-9.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(4-methylphenyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)N(C)C

DOS

IR

Vibrations