Geometry & MOs

Info

ID:	369980
PubChem CID:	127337043
Reduced:	OS2N7C15H21 (1)
Stoich.:	AB2C7D15E21 (1)
Weight, g/mol:	330.129652
ΔH_f, kcal/mol:	43.15
Dipole, Da:	5.57
IP(EA), eV:	-8.6(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations