Geometry & MOs

Info

ID:	189548
PubChem CID:	77871569
Reduced:	SN3O4C29H39 (1)
Stoich.:	AB3C4D29E39 (1)
Weight, g/mol:	424.26857
ΔH_f, kcal/mol:	-135.68
Dipole, Da:	3.24
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-amino-3-methylpentanoyl)amino]-2-butan-2-yl-2-hydroxy-8-(1H-imidazol-5-yl)-6-oxooctanoic acid

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2OC)C(=O)NC34CCCC(N3CC5=CC=CC=C5)CC4

DOS

IR

Vibrations