Geometry & MOs

Info

ID:	417064
PubChem CID:	135091242
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	563.256626
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	7.46
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CN(CCC1N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C4=CC=CC=C4Cl

DOS

IR

Vibrations