Geometry & MOs

Info

ID:	165319
PubChem CID:	74531734
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	406.042188
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	7.79
IP(EA), eV:	-9.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C(=O)NCC1C2=CC=CC=C2C(=O)N=N1

DOS

IR

Vibrations