Geometry & MOs

Info

ID:	187955
PubChem CID:	77647434
Reduced:	ClSN4O4C30H47 (1)
Stoich.:	ABC4D4E30F47 (1)
Weight, g/mol:	320.142219
ΔH_f, kcal/mol:	-210.48
Dipole, Da:	6.26
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(1-ethylcyclopropyl)amino]-4-phenylbutan-2-ol;dihydrochloride

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC3CCC(C3)(C)C)O)N4CCCCS4(O)O.Cl

DOS

IR

Vibrations