Geometry & MOs

Info

ID:	342817
PubChem CID:	127265980
Reduced:	OF2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	6.56
IP(EA), eV:	-9.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CC2=NC=NN2CC1NC(=O)NC(C3=CC=CC=C3)C(F)F

DOS

IR

Vibrations