Geometry & MOs

Info

ID:	307336
PubChem CID:	125299613
Reduced:	BrNOH2Cl4C6 (1)
Stoich.:	ABCD2E4F6 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	3.14
IP(EA), eV:	-9.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-chloro-2H-indol-3-yl)-2-[4-[[(5S)-3,5-dimethyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(=C(N=C1C(=O)C(Cl)(Cl)Cl)Br)Cl

DOS

IR

Vibrations