Geometry & MOs

Info

ID:	86073
PubChem CID:	49881663
Reduced:	O3S3N5C25H31 (1)
Stoich.:	A3B3C5D25E31 (1)
Weight, g/mol:	442.149718
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	8.82
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CSC4=CC=C(C=C4)C

DOS

IR

Vibrations