Geometry & MOs

Info

ID:	156762
PubChem CID:	56374291
Reduced:	SN3O6H19C20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	402.18559
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	9.97
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N,2,5-trimethyl-N-[(4-methylquinazolin-2-yl)methyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=COC(=N3)C4=CC=C(C=C4)OC)OC1=O

DOS

IR

Vibrations