Geometry & MOs

Info

ID:	83779
PubChem CID:	49861315
Reduced:	ClSN3O4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	471.174726
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	5.68
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-(4-methylphenyl)thiourea;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CCNC[C@@H](COC3=CC=CC=C3)O.Cl

DOS

IR

Vibrations