Geometry & MOs

Info

ID:	44416
PubChem CID:	10503437
Reduced:	FIO3N4H14C15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	444.0645
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4S,6S,7S,8R,10S)-4-(iodomethyl)-1,6,10-trimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C=C(C=N3)I)F

DOS

IR

Vibrations