Geometry & MOs

Info

ID:	222908
PubChem CID:	85333021
Reduced:	S2N5O12C20H33 (1)
Stoich.:	A2B5C12D20E33 (1)
Weight, g/mol:	601.1246
ΔH_f, kcal/mol:	-466.46
Dipole, Da:	6.04
IP(EA), eV:	-9.2(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-bromo-9H-carbazol-4-yl)oxy]-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)C(C)(C)CO[N+](=O)[O-]

DOS

IR

Vibrations