Geometry & MOs

Info

ID:	184782
PubChem CID:	77206852
Reduced:	NO10C30H47 (1)
Stoich.:	AB10C30D47 (1)
Weight, g/mol:	581.319997
ΔH_f, kcal/mol:	-479.94
Dipole, Da:	5.52
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-3-[[3,4-bis(2,2-dimethylpropoxycarbonyloxy)phenyl]methyl]-4-methoxy-4-oxobutyl] 2-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C)CC(CC1=CC(=C(C=C1)OC(=O)OC(C)CCC)OC(=O)OC(C)CCC)(C(=O)O)N

DOS

IR

Vibrations