Geometry & MOs

Info

ID:	140396
PubChem CID:	52690491
Reduced:	O2N5H23C26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	17.29
Dipole, Da:	5.1
IP(EA), eV:	-7.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)CC3=C(NC(=NC3=O)C4=CN=CC=C4)C)C5=CC=CC=C51

DOS

IR

Vibrations