Geometry & MOs

Info

ID:	307337
PubChem CID:	125299614
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	4.45
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=C(NO1)C)CN2CCN(CC2)[C@@H](C3=C4C=CC(=CC4=NC3)Cl)C(=O)O

DOS

IR

Vibrations