Geometry & MOs

Info

ID:	44670
PubChem CID:	10505219
Reduced:	O9C26H34 (1)
Stoich.:	A9B26C34 (1)
Weight, g/mol:	489.01563
ΔH_f, kcal/mol:	-360.35
Dipole, Da:	2.18
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-3-[2-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]thiourea

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations