Geometry & MOs

Info

ID:	227591
PubChem CID:	87562054
Reduced:	ClFSO2N4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	407.159354
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	8.34
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-4-[4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazolidin-3-ylidene]-3-oxo-6-propan-2-ylcyclohexa-1,5-dien-1-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=NN(C(=C1)SC2=CN=C(C=C2)Cl)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations