Geometry & MOs

Info

ID:	218542
PubChem CID:	85089596
Reduced:	PO5C27H43 (1)
Stoich.:	AB5C27D43 (1)
Weight, g/mol:	478.304287
ΔH_f, kcal/mol:	-309.56
Dipole, Da:	4.06
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-7-(4-methoxyphenoxy)heptanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)C(=O)C=CC1=CC(=C(C2=C1CCCC2C(C)(C)C)O)C(C)(C)C)OCC

DOS

IR

Vibrations