Geometry & MOs

Info

ID:	195211
PubChem CID:	78656131
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	43.92
Dipole, Da:	3.21
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3C

DOS

IR

Vibrations