Geometry & MOs

Info

ID:	60415
PubChem CID:	26684994
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	374.168008
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	3.09
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)CCC(=O)N)CC1=CN(N=C1)C2=CC=CC=C2

DOS

IR

Vibrations