Geometry & MOs

Info

ID:	31889
PubChem CID:	3722793
Reduced:	O2S3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	365.010027
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	4.6
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C)C(=O)OC

DOS

IR

Vibrations