Geometry & MOs

Info

ID:	135106
PubChem CID:	51815109
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	491.156489
ΔH_f, kcal/mol:	-132.88
Dipole, Da:	2.46
IP(EA), eV:	-9.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN([C@H](/C=C/C)C(=O)NC(C)(C)C)C(=O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations