Geometry & MOs

Info

ID:	347133
PubChem CID:	127271637
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	4.59
IP(EA), eV:	-8.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

DOS

IR

Vibrations