Geometry & MOs

Info

ID:	420645
PubChem CID:	135114568
Reduced:	FN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	488.336256
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	4.28
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-23-methoxy-13-(3-methylbutyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)O)CC2=CN(N=C2)C3=CC=CC=C3F)O

DOS

IR

Vibrations