Geometry & MOs

Info

ID:	420790
PubChem CID:	135114814
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	380.101763
ΔH_f, kcal/mol:	43.39
Dipole, Da:	1.67
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations