Geometry & MOs

Info

ID:	353431
PubChem CID:	127284807
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	374.214033
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	4.32
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CCNC(=O)C2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations