Geometry & MOs

Info

ID:	77959
PubChem CID:	49681220
Reduced:	O2S2N4C9H16 (1)
Stoich.:	A2B2C4D9E16 (1)
Weight, g/mol:	290.087118
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	4.09
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CCCSC1=NN=C(S1)NC(=O)NCCOC

DOS

IR

Vibrations