Geometry & MOs

Info

ID:	194616
PubChem CID:	78562553
Reduced:	SO2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	20.31
Dipole, Da:	3.02
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butan-2-ylphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C)C3=CC=NC=C3

DOS

IR

Vibrations