Geometry & MOs

Info

ID:	194945
PubChem CID:	78611412
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	4.39
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)N(C)CC2=C(N(N=C2C)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations