Geometry & MOs

Info

ID:	420301
PubChem CID:	135112331
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	553.23589
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	7.68
IP(EA), eV:	-9.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-[5-(methylsulfanylmethyl)furan-2-carbonyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCS(=O)(=O)C2=CC=CC=C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations