Geometry & MOs

Info

ID:	336152
PubChem CID:	127255159
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	558.07903
ΔH_f, kcal/mol:	-121.36
Dipole, Da:	3.93
IP(EA), eV:	-8.73(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,12R,16S)-14-(4-bromophenyl)-11-(2,5-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations