Geometry & MOs

Info

ID:	77372
PubChem CID:	48426950
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	415.165366
ΔH_f, kcal/mol:	-200.5
Dipole, Da:	5.73
IP(EA), eV:	-9.5(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C

DOS

IR

Vibrations