Geometry & MOs

Info

ID:	335941
PubChem CID:	127254948
Reduced:	NO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	400.076075
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	7.5
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCOCC4)OC)OC

DOS

IR

Vibrations