Geometry & MOs

Info

ID:	221299
PubChem CID:	85267546
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	393.251523
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	3.93
IP(EA), eV:	-9.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxy-7-methyloctanoate

Drug info:

PubChemData

Smile

CC(C=CC(=O)N1C(COC1=O)CC2=CC=CC=C2)C(CCO)C3=CC=CC=C3

DOS

IR

Vibrations