Geometry & MOs

Info

ID:	445928
PubChem CID:	135269949
Reduced:	SO2N4C28H40 (1)
Stoich.:	AB2C4D28E40 (1)
Weight, g/mol:	453.129317
ΔH_f, kcal/mol:	5.17
Dipole, Da:	8.58
IP(EA), eV:	-8.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=C(N(C2)C)C)C(NC)OCC3=CC=CC(C=C3)CNC)S(=O)C(C)C

DOS

IR

Vibrations