Geometry & MOs

Info

ID:	418823
PubChem CID:	135106918
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	37.68
Dipole, Da:	5.7
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,13S)-11-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-oxa-11,14,19-triazatetracyclo[19.3.1.12,6.09,13]hexacosa-1(25),2,4,6(26),21,23-hexaene-15,20-dione

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC=CS2)C(=O)NCCN3C=NC=N3)C

DOS

IR

Vibrations