Geometry & MOs

Info

ID:	186071
PubChem CID:	77386366
Reduced:	S2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	449.200237
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	3.66
IP(EA), eV:	-9.5(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-1-en-2-yl 7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-5-hydroxy-3-oxohept-6-enoate

Drug info:

PubChemData

Smile

CC1C(=C2C(=NC(=NC2=O)SCC(=O)NCCO)S1)C

DOS

IR

Vibrations