Geometry & MOs

Info

ID:	59488
PubChem CID:	24875076
Reduced:	F3N3O5C26H28 (1)
Stoich.:	A3B3C5D26E28 (1)
Weight, g/mol:	478.151329
ΔH_f, kcal/mol:	-275.74
Dipole, Da:	2.46
IP(EA), eV:	-8.74(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C(C=CC(=C2)CCN3CCOCC3)NC(=O)C4=CC=C(O4)C#N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations