Geometry & MOs

Info

ID:	416258
PubChem CID:	135089270
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	6.5
IP(EA), eV:	-9.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(1,3-thiazole-4-carbonyl)-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

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3)C(=O)O

DOS

IR

Vibrations