Geometry & MOs

Info

ID:	224102
PubChem CID:	85338190
Reduced:	OSN6C36H38 (1)
Stoich.:	ABC6D36E38 (1)
Weight, g/mol:	603.18053
ΔH_f, kcal/mol:	80.52
Dipole, Da:	5.5
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[hexyl(methyl)amino]-3-[2-[[2-(5-iodo-2-methoxyphenyl)acetyl]amino]butanoylamino]-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C#N)C(CC4=CNC5=CC=CC=C54)C(=O)NCC6CCCC(C6)CN

DOS

IR

Vibrations