Geometry & MOs

Info

ID:	33840
PubChem CID:	7888381
Reduced:	OS2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	71.61
Dipole, Da:	2.48
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N[C@](C)(C#N)C4CC4

DOS

IR

Vibrations