Geometry & MOs

Info

ID:	141686
PubChem CID:	52916750
Reduced:	SCl2O3N4C24H30 (1)
Stoich.:	AB2C3D4E24F30 (1)
Weight, g/mol:	514.97794
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	6.42
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-azidoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations