Geometry & MOs

Info

ID:	188877
PubChem CID:	77778342
Reduced:	SO3N7C32H35 (1)
Stoich.:	AB3C7D32E35 (1)
Weight, g/mol:	360.163827
ΔH_f, kcal/mol:	0.08
Dipole, Da:	4.54
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-ethylsulfanyl-2-hydroxy-N-(4-phenylbutyl)pentanamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(N(C1)C(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)C(=O)NC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)N

DOS

IR

Vibrations