Geometry & MOs

Info

ID:	33300
PubChem CID:	7885877
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	421.109012
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	3.38
IP(EA), eV:	-8.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-adamantyl)ethyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations