Geometry & MOs

Info

ID:	31447
PubChem CID:	855731
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	25.73
Dipole, Da:	5.0
IP(EA), eV:	-8.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3)C

DOS

IR

Vibrations