Geometry & MOs

Info

ID:	25953
PubChem CID:	634837
Reduced:	O4C15H15 (2)
Stoich.:	A4B15C15 (2)
Weight, g/mol:	536.346152
ΔH_f, kcal/mol:	-258.38
Dipole, Da:	5.08
IP(EA), eV:	-8.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2C(=C1C3=CC4=C(C=CC(=C4C(=C3C)OC(=O)C)OC)OC)OC(=O)C)OC)OC

DOS

IR

Vibrations