Geometry & MOs

Info

ID:	186565
PubChem CID:	77445786
Reduced:	O2C16H23 (2)
Stoich.:	A2B16C23 (2)
Weight, g/mol:	417.174729
ΔH_f, kcal/mol:	-211.57
Dipole, Da:	3.71
IP(EA), eV:	-9.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2,4-diamino-2-(2,3-diacetyloxy-1-methoxypropyl)-3,4-dihydropyran-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2(C(CCC3(C2=CC(=O)C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C(C1=O)(C)C)C

DOS

IR

Vibrations