Geometry & MOs

Info

ID:	346177
PubChem CID:	127270668
Reduced:	SO2N4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	5.88
IP(EA), eV:	-8.87(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C(=O)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations