Geometry & MOs

Info

ID:	300171
PubChem CID:	121147437
Reduced:	SN3O4H13C17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	6.43
IP(EA), eV:	-8.94(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations