Geometry & MOs

Info

ID:	131588
PubChem CID:	51231402
Reduced:	O2S2N5C14H17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	2.41
Dipole, Da:	2.99
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations