Geometry & MOs

Info

ID:	135107
PubChem CID:	51815114
Reduced:	OSCl2N3C25H31 (1)
Stoich.:	ABC2D3E25F31 (1)
Weight, g/mol:	491.156489
ΔH_f, kcal/mol:	-13.04
Dipole, Da:	4.31
IP(EA), eV:	-8.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea

Drug info:

PubChemData

Smile

CN([C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=S)NCCCN4CCOCC4

DOS

IR

Vibrations