Geometry & MOs

Info

ID:	194093
PubChem CID:	78481299
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	410.104876
ΔH_f, kcal/mol:	23.23
Dipole, Da:	4.43
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC[NH+](C)C

DOS

IR

Vibrations