Geometry & MOs

Info

ID:	218551
PubChem CID:	85089611
Reduced:	NO6C28H33 (1)
Stoich.:	AB6C28D33 (1)
Weight, g/mol:	479.263151
ΔH_f, kcal/mol:	-225.83
Dipole, Da:	4.64
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-[2-(hydroxyamino)-2-oxoethyl]-6-phenoxyhexanoyl]amino]-3,3-dimethylbutanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C2(N(C(=O)CC(=O)O2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations