Geometry & MOs

Info

ID:	184790
PubChem CID:	77207632
Reduced:	NO9C30H47 (1)
Stoich.:	AB9C30D47 (1)
Weight, g/mol:	555.267961
ΔH_f, kcal/mol:	-441.74
Dipole, Da:	6.4
IP(EA), eV:	-9.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(2-methylbutoxycarbonyloxy)phenyl]-5-methoxycarbonyloxy-4-methylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)OC1=C(C=C(C=C1)C(CC(C)OC(=O)OCC(C)(C)C)C(C(=O)O)N)OC(=O)C(C)C(C)C

DOS

IR

Vibrations