Geometry & MOs

Info

ID:	369987
PubChem CID:	127337067
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	389.19978
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	8.89
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)N(C)C4CC4

DOS

IR

Vibrations