Geometry & MOs

Info

ID:	184769
PubChem CID:	77205685
Reduced:	NO9C24H35 (1)
Stoich.:	AB9C24D35 (1)
Weight, g/mol:	595.335647
ΔH_f, kcal/mol:	-406.56
Dipole, Da:	6.57
IP(EA), eV:	-9.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(pentoxycarbonyloxy)phenyl]-4-methyl-5-(4-methylpentanoyloxy)hexanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NCC(C)OC(=O)OCC(C)(C)C)OC(=O)CC

DOS

IR

Vibrations