Geometry & MOs

Info

ID:	354074
PubChem CID:	127285873
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	4.09
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)NC2=NNC(=C2)CC3CCCCC3)C

DOS

IR

Vibrations