Geometry & MOs

Info

ID:	219543
PubChem CID:	85149163
Reduced:	N3O5C12H17 (2)
Stoich.:	A3B5C12D17 (2)
Weight, g/mol:	566.218188
ΔH_f, kcal/mol:	-399.35
Dipole, Da:	6.41
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-benzyl-3-[hydroxy-[1-(phenoxycarbonylamino)-2-phenylethyl]phosphoryl]propanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)CN(C1=CC=C(C=C1)O)N=O)NC(=O)C(CC(=O)O)NC(=O)C

DOS

IR

Vibrations