Geometry & MOs

Info

ID:	156651
PubChem CID:	56371538
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	481.181747
ΔH_f, kcal/mol:	19.47
Dipole, Da:	7.97
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations