Geometry & MOs

Info

ID:	36250
PubChem CID:	7982473
Reduced:	ClFSO2N4H14C17 (1)
Stoich.:	ABCD2E4F14G17 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	6.89
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations