Geometry & MOs

Info

ID:	156534
PubChem CID:	56371031
Reduced:	S2O3N5C22H31 (1)
Stoich.:	A2B3C5D22E31 (1)
Weight, g/mol:	429.144631
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	1.77
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations