Geometry & MOs

Info

ID:	166179
PubChem CID:	74646310
Reduced:	SN4O5C20H26 (1)
Stoich.:	AB4C5D20E26 (1)
Weight, g/mol:	368.188664
ΔH_f, kcal/mol:	-168.47
Dipole, Da:	6.65
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N)S(=O)(=O)N(C)C

DOS

IR

Vibrations