Geometry & MOs

Info

ID:	54382
PubChem CID:	17137128
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	26.01
Dipole, Da:	3.97
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC=N3

DOS

IR

Vibrations