Geometry & MOs

Info

ID:	324923
PubChem CID:	126678654
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	517.191643
ΔH_f, kcal/mol:	32.9
Dipole, Da:	1.87
IP(EA), eV:	-7.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-12-[(2R)-butan-2-yl]-2-[(E)-4-(methyldisulfanyl)but-1-enyl]-4,7,10,15-tetraoxo-1-oxa-5,8,11-triazacyclopentadec-13-yl] acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)N/C=C(/C2=CC=CC=C2N)\N

DOS

IR

Vibrations