Geometry & MOs

Info

ID:	64056
PubChem CID:	29195914
Reduced:	FNOSC13H14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	475.250478
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	2.78
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC2=C(S1)C=C(C=C2)F

DOS

IR

Vibrations