Geometry & MOs

Info

ID:	38753
PubChem CID:	8137870
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-40.86
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@@H]4CCCO4)C

DOS

IR

Vibrations