Geometry & MOs

Info

ID:	131503
PubChem CID:	51215217
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	350.09681
ΔH_f, kcal/mol:	19.21
Dipole, Da:	9.08
IP(EA), eV:	-8.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyclopropylethyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC(C)C3CC3

DOS

IR

Vibrations