Geometry & MOs

Info

ID:	448587
PubChem CID:	135292103
Reduced:	SO3N5C27H35 (1)
Stoich.:	AB3C5D27E35 (1)
Weight, g/mol:	442.330777
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	9.62
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-4-[6-amino-2-ethenyl-4-(5-imino-2-methylhexyl)-3-propan-2-ylphenyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1C)C2=NC(=C(C(=C2C#N)C)C3=CC=C(C=C3)NS(=O)(=O)C)C4CC4

DOS

IR

Vibrations