Geometry & MOs

Info

ID:	83778
PubChem CID:	49861307
Reduced:	ClSN4O4C24H27 (1)
Stoich.:	ABC4D4E24F27 (1)
Weight, g/mol:	515.164555
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	7.74
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]carbamothioylamino]benzoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC[C@H](CNCCC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])O.Cl

DOS

IR

Vibrations