Geometry & MOs

Info

ID:	393254
PubChem CID:	135019889
Reduced:	S2F3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-314.81
Dipole, Da:	1.97
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,16S)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.02,10.02,16.012,16]icosan-14-one

Drug info:

PubChemData

Smile

CCC1[C@@H](C(C([C@@H](O1)SSCC2=CC(=CC=C2)C(C)C(F)(F)F)O)O)C

DOS

IR

Vibrations