Geometry & MOs

Info

ID:	64202
PubChem CID:	29198284
Reduced:	FSO2N3C22H26 (1)
Stoich.:	ABC2D3E22F26 (1)
Weight, g/mol:	395.203134
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	4.67
IP(EA), eV:	-8.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCCCC4)F

DOS

IR

Vibrations