Geometry & MOs

Info

ID:	147266
PubChem CID:	53786921
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	322.044585
ΔH_f, kcal/mol:	-110.58
Dipole, Da:	3.47
IP(EA), eV:	-9.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 3-methoxy-2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enethioate

Drug info:

PubChemData

Smile

COC(=O)CC=C(C1=CC=C(C=C1)C2=NC(CO2)C(=O)NCC3CCCCC3)C4=CN=CC=C4

DOS

IR

Vibrations