Geometry & MOs

Info

ID:	184800
PubChem CID:	77209973
Reduced:	NO9C31H49 (1)
Stoich.:	AB9C31D49 (1)
Weight, g/mol:	537.293782
ΔH_f, kcal/mol:	-455.3
Dipole, Da:	2.35
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(2-methylpentanoyloxy)phenyl]-5-ethoxycarbonyloxy-4-methylhexanoic acid

Drug info:

PubChemData

Smile

CCC(C)NC(CC1=CC(=C(C=C1)OC(=O)CC(C)(C)C)OC(=O)CC(C)(C)C)(C(=O)O)OC(=O)OC(C)(C)CC

DOS

IR

Vibrations