Geometry & MOs

Info

ID:	382131
PubChem CID:	134973081
Reduced:	SN3O9C21H33 (1)
Stoich.:	AB3C9D21E33 (1)
Weight, g/mol:	425.192569
ΔH_f, kcal/mol:	-420.54
Dipole, Da:	9.22
IP(EA), eV:	-8.58(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-[(1S)-1-naphthalen-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)NC(=S)N[C@@H]2CCCC[C@H]2N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations