Geometry & MOs

Info

ID:	412632
PubChem CID:	135085529
Reduced:	ClN2O2C45H49 (1)
Stoich.:	AB2C2D45E49 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-31.88
Dipole, Da:	12.84
IP(EA), eV:	-8.43(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,15S)-13-methyl-11,15-diphenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)OC(=O)C56CC7CC(C5)CC(C7)C6)CC8=C9C=CC=CC9=CC1=CC=CC=C18.[Cl-]

DOS

IR

Vibrations