Geometry & MOs

Info

ID:	417760
PubChem CID:	135102662
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	545.321334
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	2.52
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-acetyl-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CCNC(=O)CCSC2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations