Geometry & MOs

Info

ID:	43300
PubChem CID:	10320924
Reduced:	PO5C24H39 (1)
Stoich.:	AB5C24D39 (1)
Weight, g/mol:	439.162451
ΔH_f, kcal/mol:	-302.92
Dipole, Da:	4.99
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-carboxypropan-2-yl]sulfonylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C)C(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC

DOS

IR

Vibrations