Geometry & MOs

Info

ID:	158744
PubChem CID:	56468275
Reduced:	ClSN2O3C21H31 (1)
Stoich.:	ABC2D3E21F31 (1)
Weight, g/mol:	480.203365
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	2.88
IP(EA), eV:	-9.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations