Geometry & MOs

Info

ID:	237562
PubChem CID:	92719758
Reduced:	SF2N3O4H17C24 (1)
Stoich.:	AB2C3D4E17F24 (1)
Weight, g/mol:	495.194026
ΔH_f, kcal/mol:	-142.83
Dipole, Da:	2.06
IP(EA), eV:	-8.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=C1C3=CC=CC=C3N2)C4=CC(=C(C=C4)F)F)S(=O)(=O)C5=CC6=C(C=C5)NC(=O)O6

DOS

IR

Vibrations