Geometry & MOs

Info

ID:	228981
PubChem CID:	87566635
Reduced:	ClFSN3O4C23H29 (1)
Stoich.:	ABCD3E4F23G29 (1)
Weight, g/mol:	565.178376
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	5.01
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C\2/CN(CC[C@H]2S)[C@H](C3=CC=CC=C3F)C(=O)OC.Cl

DOS

IR

Vibrations