Geometry & MOs

Info

ID:	228676
PubChem CID:	87565526
Reduced:	NO3F9H22C27 (1)
Stoich.:	AB3C9D22E27 (1)
Weight, g/mol:	471.11178
ΔH_f, kcal/mol:	-556.9
Dipole, Da:	8.13
IP(EA), eV:	-9.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(iodomethoxy)-2,2-dimethyl-3-oxopropyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)C(F)(F)F)C(C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations