Geometry & MOs

Info

ID:	436770
PubChem CID:	135211295
Reduced:	BrN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	543.12565
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	8.29
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]-3-(2-hydroxypropan-2-yloxy)butyl] acetate

Drug info:

PubChemData

Smile

CC(=O)NCCOC1=CC2=C(C=C1)C(=O)C3=C(C2(C)C)NC4=CC(=CCC43)Br

DOS

IR

Vibrations