Geometry & MOs

Info

ID:	26555
PubChem CID:	652726
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	19.38
Dipole, Da:	1.66
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-methylanilino)methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=NN=C(S1)CSCC2=CC=CC=C2

DOS

IR

Vibrations