Geometry & MOs

Info

ID:	417286
PubChem CID:	135091924
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	470.235162
ΔH_f, kcal/mol:	-202.66
Dipole, Da:	2.83
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(1,3-thiazol-2-ylmethyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC)NC1=O

DOS

IR

Vibrations