Geometry & MOs

Info

ID:	354012
PubChem CID:	127285669
Reduced:	BrO2N3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	384.165369
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	3.31
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2(CCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations