Geometry & MOs

Info

ID:	347600
PubChem CID:	127272455
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	350.152495
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	4.18
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations